Basic information
- CAS
866144-34-5- Standard SMILES
COC(=O)CC(NS(=O)(=O)c1ccc(OC)cc1)c1ccc2c(c1)OCO2- InChIKey
JFMJQXAYMYXRFA-UHFFFAOYSA-N- Molecular formula
- C18H19NO7S
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.08822312
Names & identifiers
- Preferred name
- Methyl 3-(1,3-benzodioxol-5-yl)-3-{[(4-methoxyphenyl)sulfonyl]amino}propanoate
- IUPAC
- methyl 3-(1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanoate
- English name
- Methyl 3-(1,3-benzodioxol-5-yl)-3-([(4-methoxyphenyl)sulfonyl]amino)propanoate
- Molecular formula
- C18H19NO7S
- Molecular weight
- 393.41
Names & synonyms
866144-34-5methyl 3-(1,3-benzodioxol-5-yl)-3-{[(4-methoxyphenyl)sulfonyl]amino}propanoatemethyl 3-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxybenzenesulfonamido)propanoatemethyl 3-(1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanoateGNF-Pf-5010C18H19NO7SCHEMBL601817DTXSID901146967MFCD03787227AKOS0051042219T-0008Methyl 3-(2H-1,3-benzodioxol-5-yl)-3-[(4-methoxybenzene-1-sulfonyl)amino]propanoate
Show more names
Methyl 3-(1,3-benzodioxol-5-yl)-3-([(4-methoxyphenyl)sulfonyl]amino)propanoate1,3-Benzodioxole-5-propanoic acid, β-[[(4-methoxyphenyl)sulfonyl]amino]-, methyl ester
Methyl I(2)-[[(4-methoxyphenyl)sulfonyl]amino]-1,3-benzodioxole-5-propanoatemethyl3-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxybenzenesulfonamido)propanoate
Database identifiers
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Boiling point
- 566.6 · 566.6±60.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- pka
- 9.94 · 9.94±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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