![(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid structure](/static/products/3270/327094-06-4.webp)
(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid
TL;DR: (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid (CAS 327094-06-4) is a chemical compound with molecular formula C16H21NO4S and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid
Also Known As: AF-399/15104041, (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid, (E)-3-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)acrylic acid, (E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid, (2E)-3-[3-(azaperhydroepinylsulfonyl)-4-methylphenyl]prop-2-enoic acid
| Molecular Formula | C16H21NO4S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 2.65752 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.11914 |
| Heavy Atoms | 22 |
| Complexity | 671.3863 |
Chemical Identifiers
| CAS Number | 327094-06-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCCCC2 |
Product Overview
(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid (CAS 327094-06-4), with molecular formula C16H21NO4S and molecular weight 323.12 g/mol. IUPAC: (E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid
Property Insights of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid
The XLogP value of 2.65752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 3 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 (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid?
The CAS number of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid is 327094-06-4.
What is the molecular formula of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid?
The molecular formula of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid is C16H21NO4S.
What is the molecular weight of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid?
The molecular weight of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid is 323.12 g/mol.
Where can I buy (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid?
You can request a quote for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.