Basic information
- CAS
134470-38-5- Standard SMILES
CC(C=Cc1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O- InChIKey
UAIYNMRLUHHRMF-UHFFFAOYSA-N- Molecular formula
- C17H17FN2O3
- Average molar mass
- 316.33 g/mol
- Monoisotopic mass
- 316.12232057
Names & identifiers
- Preferred name
- 1-(4-(3-(4-Fluorophenoxy)phenyl)but-3-en-2-yl)-1-hydroxyurea
- IUPAC
- 1-[4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
- English name
- BW B70C
- Molecular formula
- C17H17FN2O3
- Molecular weight
- 316.33
Names & synonyms
1-(4-(3-(4-Fluorophenoxy)phenyl)but-3-en-2-yl)-1-hydroxyurea1-[4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyureaKBioGR_000232KBioSS_000232SCHEMBL2681955SCHEMBL7716648KBio2_000232KBio2_002800KBio2_005368KBio3_000463KBio3_000464Bio1_000390
Show more names
70cBW B70CN-[3-[3-(-FLUOROPHENOXY)PHENYL]-1-METHYL-2-PROPENYL]-N-HYDROXYUREAN-[3-[3-4(-FLUOROPHENOXY)PHENYL]-1-METHYL-2-PROPENYL]-N-HYDROXYUREAn-(3-(3-(4-fluorophenoxy)phenyl)-1-methyl-2-propenyl)-n-hydroxy-ureN-[3-[3-(4-Fluorophenoxy)phenyl]-1-methyl-2-propen-1-yl]-N-hydroxyureaUrea, N-[3-[3-(4-fluorophenoxy)phenyl]-1-methyl-2-propen-1-yl]-N-hydroxy-(e)-n-(3-(3-(4-fluorophenoxy)phenyl)-1-(r,s)-methylprop-2-enyl)-n-hydroxyure
Bio1_000879Bio1_001368Bio2_000232Bio2_000712HMS3267L21DB-221532Q27163571N-[3-[3-(4-fluorophenoxy)phenyl]-1-methyl-2-propen-1-yl]-N-hydroxy-urea
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 22 mg/mL, · DMSO: 22 mg/mL, soluble
- form
- solid
- color
- white
- InChI
- 1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+
- InChIKey
- UAIYNMRLUHHRMF-AATRIKPKSA-N
- SMILES
- CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O
- UNSPSC Code
- 51111800 · 51111800
- NACRES
- 77 · NA.77
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- RTECS
- 3976666 · YT3976666
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- rtecs
- YT3976666
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesBW B70C is a 5-LO (5-lipoxygenase) inhibitor.
Suppliers12 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
BOC Sciences[email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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