(E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate
TL;DR: (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate (CAS 885189-95-7) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonylethenyl]amino]benzoate
Also Known As: (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate, methyl 4-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonylethenyl]amino]benzoate
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.73258 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 956.1362 |
Chemical Identifiers
| CAS Number | 885189-95-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=C(C=C2)C(=O)OC)/C#N |
Product Overview
(E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate (CAS 885189-95-7), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: methyl 4-[[(E)-2-cyano-2-(4-methoxyphenyl)sulfonylethenyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate
Property Insights of (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate
The XLogP value of 2.73258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate has 1 hydrogen bond donor(s) and 7 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 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate?
The CAS number of (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate is 885189-95-7.
What is the molecular formula of (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate?
The molecular formula of (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate is C18H16N2O5S.
What is the molecular weight of (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate?
The molecular weight of (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate is 372.08 g/mol.
Where can I buy (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate?
You can request a quote for (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-cyano-2-((4-methoxyphenyl)sulfonyl)vinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.