3-(Azepan-1-ylsulfonyl)aniline
TL;DR: 3-(Azepan-1-ylsulfonyl)aniline (CAS 91619-39-5) is a chemical compound with molecular formula C12H18N2O2S and molecular weight 254.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)aniline
Also Known As: 3-(azepan-1-ylsulfonyl)aniline, 3-(Azepane-1-sulfonyl)-phenylamine, 3-(azepane-1-sulfonyl)aniline, 3- -PHENYLAMINE, 1-(3-Amino-benzolsulfonyl)-hexahydro-azepin
| Molecular Formula | C12H18N2O2S |
|---|---|
| Molecular Weight | 254.11 g/mol |
| LogP | 1.8335 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.1089 |
| Heavy Atoms | 17 |
| Complexity | 477.03394 |
Chemical Identifiers
| CAS Number | 91619-39-5 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N |
Product Overview
3-(Azepan-1-ylsulfonyl)aniline (CAS 91619-39-5), with molecular formula C12H18N2O2S and molecular weight 254.11 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)aniline.
Chemical Property Profile of 3-(Azepan-1-ylsulfonyl)aniline
Property Insights of 3-(Azepan-1-ylsulfonyl)aniline
The XLogP value of 1.8335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepan-1-ylsulfonyl)aniline. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Azepan-1-ylsulfonyl)aniline. Following Lipinski's Rule of Five, 3-(Azepan-1-ylsulfonyl)aniline 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)aniline?
The CAS number of 3-(Azepan-1-ylsulfonyl)aniline is 91619-39-5.
What is the molecular formula of 3-(Azepan-1-ylsulfonyl)aniline?
The molecular formula of 3-(Azepan-1-ylsulfonyl)aniline is C12H18N2O2S.
What is the molecular weight of 3-(Azepan-1-ylsulfonyl)aniline?
The molecular weight of 3-(Azepan-1-ylsulfonyl)aniline is 254.11 g/mol.
Where can I buy 3-(Azepan-1-ylsulfonyl)aniline?
You can request a quote for 3-(Azepan-1-ylsulfonyl)aniline 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)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepan-1-ylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.