![(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid structure](/static/products/3256/325694-53-9.webp)
(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
TL;DR: (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid (CAS 325694-53-9) is a chemical compound with molecular formula C16H21NO5S and molecular weight 339.11 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-methoxyphenyl]prop-2-enoic acid
Also Known As: BIM-0044006.P001, jncaR@LPQjkPAFRRFJIJIIIMJVb{ruPUATSLPDDp, VU0488712-1, (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid, (2E)-3-[3-(AZEPANE-1-SULFONYL)-4-METHOXYPHENYL]PROP-2-ENOIC ACID
| Molecular Formula | C16H21NO5S |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.11404 |
| Heavy Atoms | 23 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 325694-53-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCCCCC2 |
| InChIKey | UVLXOJIYEJYIED-VQHVLOKHSA-N |
Product Overview
(2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid (CAS 325694-53-9), with molecular formula C16H21NO5S and molecular weight 339.11 g/mol. IUPAC: (E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
Property Insights of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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-methoxyphenyl]prop-2-enoic acid?
The CAS number of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid is 325694-53-9.
What is the molecular formula of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid?
The molecular formula of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid is C16H21NO5S.
What is the molecular weight of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid?
The molecular weight of (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid is 339.11 g/mol.
Where can I buy (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid?
You can request a quote for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]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-methoxyphenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.