1-(3,4-Difluorophenyl)sulfonylazepane
TL;DR: 1-(3,4-Difluorophenyl)sulfonylazepane (CAS 588681-64-5) is a chemical compound with molecular formula C12H15F2NO2S and molecular weight 275.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-difluorophenyl)sulfonylazepane
Also Known As: 1-(3,4-difluorophenyl)sulfonylazepane, 1-[(3,4-difluorophenyl)sulfonyl]azepane, 4-(azaperhydroepinylsulfonyl)-1,2-difluorobenzene
| Molecular Formula | C12H15F2NO2S |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 2.5295 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.07916 |
| Heavy Atoms | 18 |
| Complexity | 522.87897 |
Chemical Identifiers
| CAS Number | 588681-64-5 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)F |
Product Overview
1-(3,4-Difluorophenyl)sulfonylazepane (CAS 588681-64-5), with molecular formula C12H15F2NO2S and molecular weight 275.08 g/mol. IUPAC: 1-(3,4-difluorophenyl)sulfonylazepane.
Chemical Property Profile of 1-(3,4-Difluorophenyl)sulfonylazepane
Property Insights of 1-(3,4-Difluorophenyl)sulfonylazepane
The XLogP value of 2.5295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Difluorophenyl)sulfonylazepane. With a topological polar surface area (TPSA) of 37.38 Ų, 1-(3,4-Difluorophenyl)sulfonylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Difluorophenyl)sulfonylazepane has 0 hydrogen bond donor(s) and 2 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 1-(3,4-Difluorophenyl)sulfonylazepane?
The CAS number of 1-(3,4-Difluorophenyl)sulfonylazepane is 588681-64-5.
What is the molecular formula of 1-(3,4-Difluorophenyl)sulfonylazepane?
The molecular formula of 1-(3,4-Difluorophenyl)sulfonylazepane is C12H15F2NO2S.
What is the molecular weight of 1-(3,4-Difluorophenyl)sulfonylazepane?
The molecular weight of 1-(3,4-Difluorophenyl)sulfonylazepane is 275.08 g/mol.
Where can I buy 1-(3,4-Difluorophenyl)sulfonylazepane?
You can request a quote for 1-(3,4-Difluorophenyl)sulfonylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Difluorophenyl)sulfonylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Difluorophenyl)sulfonylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.