Basic information
- CAS
19819-18-2- Standard SMILES
O=c1[nH]c(-c2ccccc2)nc2sc3c(c12)CCCC3- InChIKey
CDFWRIZOSNAGCV-UHFFFAOYSA-N- Molecular formula
- C16H14N2OS
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.08268425
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
- IUPAC
- 2-phenyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- AKOS 92543
- Molecular formula
- C16H14N2OS
- Molecular weight
- 282.36
Names & synonyms
19819-18-2(1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-phenyl-DTXSID701735385,6,7,8-Tetrahydro-2-phenyl[1]benzothieno[2,3-d]pyrimidin-4(1H)-one[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-2-phenyl-5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-oneRefChem:1072160DTXCID4096029Antiproliferative agent-152-Phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-oneCHEMBL39672442-Phenyl-5,6,7,8-tetrahydro(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
Show more names
AKOS 92543
ZINC18136585AKOS000281431HY-W278944CL-3006192-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one2-Phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-oneorb1741459BDBM50250991
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- form
- Solid
- color
- Off-white to light yellow
Chemistry & industry
Applications
UsesAntiproliferative agent-15 is an thienopyrimidine derivated anticancer agent. Antiproliferative agent-15 shows antiproliferative activity against human colon (HCT116 and HCT15) and brain (LN-229 and GBM-10) cancer cell lines[1].
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
Aladdin Scientific[email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
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Compound notes
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