(E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate
TL;DR: (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate (CAS 905014-65-5) is a chemical compound with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]amino]-4,5-dimethoxybenzoate
Also Known As: (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate, methyl 2-[[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C19H18N2O6S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 2.74118 |
| Topological Polar Surface Area | 114.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.08856 |
| Heavy Atoms | 28 |
| Complexity | 1040.0839 |
Chemical Identifiers
| CAS Number | 905014-65-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)N/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)OC |
Product Overview
(E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate (CAS 905014-65-5), with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol. IUPAC: methyl 2-[[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate
Property Insights of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate
The XLogP value of 2.74118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate. The TPSA of 114.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate?
The CAS number of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate is 905014-65-5.
What is the molecular formula of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate?
The molecular formula of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate is C19H18N2O6S.
What is the molecular weight of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate?
The molecular weight of (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate is 402.09 g/mol.
Where can I buy (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate?
You can request a quote for (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((2-cyano-2-(phenylsulfonyl)vinyl)amino)-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.