5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid
TL;DR: 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid (CAS 326907-67-9) 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.
5-(azepan-1-ylsulfonyl)-2-methoxybenzoic acid
Also Known As: 5-(Azepane-1-sulfonyl)-2-methoxy-benzoic acid, 5-(azepan-1-ylsulfonyl)-2-methoxybenzoic acid, 5-(azepane-1-sulfonyl)-2-methoxybenzoic acid, IFLab1_003904, 5-(azepan-1-ylsulfonyl)-2-methoxybenzoicacid
| 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 | 326907-67-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)O |
| InChIKey | SKOOSLKSZKOIFG-UHFFFAOYSA-N |
Product Overview
5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid (CAS 326907-67-9), with molecular formula C14H19NO5S and molecular weight 313.10 g/mol. IUPAC: 5-(azepan-1-ylsulfonyl)-2-methoxybenzoic acid.
Chemical Property Profile of 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid
Property Insights of 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 5-(Azepane-1-sulfonyl)-2-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 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid?
The CAS number of 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid is 326907-67-9.
What is the molecular formula of 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid?
The molecular formula of 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid is C14H19NO5S.
What is the molecular weight of 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid?
The molecular weight of 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid is 313.10 g/mol.
Where can I buy 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid?
You can request a quote for 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Azepane-1-sulfonyl)-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.