3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
TL;DR: 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid (CAS 299181-35-4) is a chemical compound with molecular formula C14H19NO5S and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid
Also Known As: 3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid, 3-(Azepane-1-sulfonyl)-4-methoxy-benzoic acid, 3-(azepane-1-sulfonyl)-4-methoxybenzoic acid, BAS 06480617, 3-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxybenzoic acid
| Molecular Formula | C14H19NO5S |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0984 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 299181-35-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2 |
| InChIKey | SSIIBIGRHVVLAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid (CAS 299181-35-4), with molecular formula C14H19NO5S and molecular weight 313.10 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid.
Chemical Property Profile of 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
Property Insights of 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-(Azepane-1-sulfonyl)-4-methoxybenzoic 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 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid?
The CAS number of 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid is 299181-35-4.
What is the molecular formula of 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid?
The molecular formula of 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid is C14H19NO5S.
What is the molecular weight of 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid?
The molecular weight of 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid is 313.10 g/mol.
Where can I buy 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid?
You can request a quote for 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.