4-(Azepan-1-ylsulfonyl)benzoyl chloride
TL;DR: 4-(Azepan-1-ylsulfonyl)benzoyl chloride (CAS 890592-48-0) is a chemical compound with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ylsulfonyl)benzoyl chloride
Also Known As: 4-(azepan-1-ylsulfonyl)benzoyl chloride, 4-(AZEPANE-1-SULFONYL)BENZOYL CHLORIDE, 4-(Azepane-1-sulfonyl)-benzoyl chloride, 4-(azaperhydroepinylsulfonyl)benzoyl chloride, BB 0237929
| Molecular Formula | C13H16ClNO3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.6303 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05396 |
| Heavy Atoms | 19 |
| Complexity | 545.756 |
Chemical Identifiers
| CAS Number | 890592-48-0 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)Cl |
Product Overview
4-(Azepan-1-ylsulfonyl)benzoyl chloride (CAS 890592-48-0), with molecular formula C13H16ClNO3S and molecular weight 301.05 g/mol. IUPAC: 4-(azepan-1-ylsulfonyl)benzoyl chloride.
Chemical Property Profile of 4-(Azepan-1-ylsulfonyl)benzoyl chloride
Property Insights of 4-(Azepan-1-ylsulfonyl)benzoyl chloride
The XLogP value of 2.6303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Azepan-1-ylsulfonyl)benzoyl chloride. With a topological polar surface area (TPSA) of 54.45 Ų, 4-(Azepan-1-ylsulfonyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-ylsulfonyl)benzoyl chloride has 0 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 4-(Azepan-1-ylsulfonyl)benzoyl chloride?
The CAS number of 4-(Azepan-1-ylsulfonyl)benzoyl chloride is 890592-48-0.
What is the molecular formula of 4-(Azepan-1-ylsulfonyl)benzoyl chloride?
The molecular formula of 4-(Azepan-1-ylsulfonyl)benzoyl chloride is C13H16ClNO3S.
What is the molecular weight of 4-(Azepan-1-ylsulfonyl)benzoyl chloride?
The molecular weight of 4-(Azepan-1-ylsulfonyl)benzoyl chloride is 301.05 g/mol.
Where can I buy 4-(Azepan-1-ylsulfonyl)benzoyl chloride?
You can request a quote for 4-(Azepan-1-ylsulfonyl)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-ylsulfonyl)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-ylsulfonyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.