![3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester structure](/static/products/3152/315248-95-4.webp)
3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester
TL;DR: 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester (CAS 315248-95-4) is a chemical compound with molecular formula C18H24N2O5S and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoate
Also Known As: BAS 01110297, 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester, ethyl (E)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoate, ethyl 4-{[4-(1-azepanylsulfonyl)phenyl]amino}-4-oxo-2-butenoate, F1443-6134
| Molecular Formula | C18H24N2O5S |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 2.3091 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.1406 |
| Heavy Atoms | 26 |
| Complexity | 748.2911 |
Chemical Identifiers
| CAS Number | 315248-95-4 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2 |
Product Overview
3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester (CAS 315248-95-4), with molecular formula C18H24N2O5S and molecular weight 380.14 g/mol. IUPAC: ethyl (E)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoate.
Chemical Property Profile of 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester
Property Insights of 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester
The XLogP value of 2.3091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester. Following Lipinski's Rule of Five, 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester has 1 hydrogen bond donor(s) and 5 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 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester?
The CAS number of 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester is 315248-95-4.
What is the molecular formula of 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester?
The molecular formula of 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester is C18H24N2O5S.
What is the molecular weight of 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester?
The molecular weight of 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester is 380.14 g/mol.
Where can I buy 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester?
You can request a quote for 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Azepane-1-sulfonyl)-phenylcarbamoyl]-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.