5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid
TL;DR: 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid (CAS 637320-93-5) 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.
5-(azepan-1-ylsulfonyl)-2-methylbenzoic acid
Also Known As: 5-(azepan-1-ylsulfonyl)-2-methylbenzoic acid, 5-(azepan-1-ylsulfonyl)-2-methyl-benzoic Acid, 5-(azepan-1-ylsulfonyl)-2-methylbenzoicacid, 5-(AZEPANE-1-SULFONYL)-2-METHYLBENZOIC ACID, 5-(azaperhydroepinylsulfonyl)-2-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 | 637320-93-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)O |
Product Overview
5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid (CAS 637320-93-5), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: 5-(azepan-1-ylsulfonyl)-2-methylbenzoic acid.
Chemical Property Profile of 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid
Property Insights of 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid
The XLogP value of 2.25792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 5-(Azepan-1-ylsulfonyl)-2-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 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid?
The CAS number of 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid is 637320-93-5.
What is the molecular formula of 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid?
The molecular formula of 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid is C14H19NO4S.
What is the molecular weight of 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid?
The molecular weight of 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid is 297.10 g/mol.
Where can I buy 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid?
You can request a quote for 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Azepan-1-ylsulfonyl)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.