3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid
TL;DR: 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid (CAS 418790-58-6) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-4-methylbenzoic acid
Also Known As: 3-(azepan-1-ylsulfonyl)-4-methylbenzoic acid, 3-(azepan-1-ylsulfonyl)-4-methyl-benzoic Acid, 3-(azepan-1-ylsulfonyl)-4-methylbenzoicacid, 3-(azepane-1-sulfonyl)-4-methyl-benzoic acid, 3-(AZEPANE-1-SULFONYL)-4-METHYLBENZOIC ACID
| Molecular Formula | C14H19NO4S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.25792 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1035 |
| Heavy Atoms | 20 |
| Complexity | 601.6 |
Chemical Identifiers
| CAS Number | 418790-58-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2 |
Product Overview
3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid (CAS 418790-58-6), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-4-methylbenzoic acid.
Chemical Property Profile of 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid
Property Insights of 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid
The XLogP value of 2.25792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic 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-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid?
The CAS number of 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid is 418790-58-6.
What is the molecular formula of 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid?
The molecular formula of 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid is C14H19NO4S.
What is the molecular weight of 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid?
The molecular weight of 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid is 297.10 g/mol.
Where can I buy 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid?
You can request a quote for 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepan-1-ylsulfonyl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.