![3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid structure](/static/products/3427/342778-72-7.webp)
3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid
TL;DR: 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid (CAS 342778-72-7) is a chemical compound with molecular formula C15H19NO4S and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid
Also Known As: 3-[4-(Azepane-1-sulfonyl)-phenyl]-acrylic acid, 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoic Acid, 3-[4-(azepane-1-sulfonyl)phenyl]prop-2-enoic acid
| Molecular Formula | C15H19NO4S |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 2.3491 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1035 |
| Heavy Atoms | 21 |
| Complexity | 611.5786 |
Chemical Identifiers
| CAS Number | 342778-72-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O |
Product Overview
3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid (CAS 342778-72-7), with molecular formula C15H19NO4S and molecular weight 309.10 g/mol. IUPAC: 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid
Property Insights of 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid
The XLogP value of 2.3491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, 3-[4-(Azepan-1-ylsulfonyl)phenyl]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 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid?
The CAS number of 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid is 342778-72-7.
What is the molecular formula of 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid?
The molecular formula of 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid is C15H19NO4S.
What is the molecular weight of 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid?
The molecular weight of 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid is 309.10 g/mol.
Where can I buy 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid?
You can request a quote for 3-[4-(Azepan-1-ylsulfonyl)phenyl]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 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Azepan-1-ylsulfonyl)phenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.