3-(Azepane-1-sulfonyl)-4-methylaniline
TL;DR: 3-(Azepane-1-sulfonyl)-4-methylaniline (CAS 326918-48-3) is a chemical compound with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-4-methylaniline
Also Known As: 3-(azepane-1-sulfonyl)-4-methylaniline, 3-(azepan-1-ylsulfonyl)-4-methylaniline, 3-(Azepane-1-sulfonyl)-4-methyl-phenylamine, 3-(azepan-1-ylsulfonyl)-4-methyl-aniline, 3-(azaperhydroepinylsulfonyl)-4-methylphenylamine
| Molecular Formula | C13H20N2O2S |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 2.14192 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.12454 |
| Heavy Atoms | 18 |
| Complexity | 517.79285 |
Chemical Identifiers
| CAS Number | 326918-48-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)S(=O)(=O)N2CCCCCC2 |
Product Overview
3-(Azepane-1-sulfonyl)-4-methylaniline (CAS 326918-48-3), with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-4-methylaniline.
Chemical Property Profile of 3-(Azepane-1-sulfonyl)-4-methylaniline
Property Insights of 3-(Azepane-1-sulfonyl)-4-methylaniline
The XLogP value of 2.14192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepane-1-sulfonyl)-4-methylaniline. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Azepane-1-sulfonyl)-4-methylaniline. Following Lipinski's Rule of Five, 3-(Azepane-1-sulfonyl)-4-methylaniline 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-(Azepane-1-sulfonyl)-4-methylaniline?
The CAS number of 3-(Azepane-1-sulfonyl)-4-methylaniline is 326918-48-3.
What is the molecular formula of 3-(Azepane-1-sulfonyl)-4-methylaniline?
The molecular formula of 3-(Azepane-1-sulfonyl)-4-methylaniline is C13H20N2O2S.
What is the molecular weight of 3-(Azepane-1-sulfonyl)-4-methylaniline?
The molecular weight of 3-(Azepane-1-sulfonyl)-4-methylaniline is 268.12 g/mol.
Where can I buy 3-(Azepane-1-sulfonyl)-4-methylaniline?
You can request a quote for 3-(Azepane-1-sulfonyl)-4-methylaniline 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-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepane-1-sulfonyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.