Hexahydro-1H-azepine-1-carbonyl chloride
TL;DR: Hexahydro-1H-azepine-1-carbonyl chloride (CAS 27817-35-2) is a chemical compound with molecular formula C7H12ClNO and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepane-1-carbonyl chloride
Also Known As: azepane-1-carbonyl chloride, Hexahydro-1H-azepine-1-carbonyl chloride, azepane-1-carbonylchloride, 1H-Azepine-1-carbonyl chloride, hexahydro-, 1-Hexamethyleniminocarbonyl chloride
| Molecular Formula | C7H12ClNO |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.06075 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 27817-35-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)Cl |
| InChIKey | VCZFCDMBZCEPFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1H-azepine-1-carbonyl chloride (CAS 27817-35-2), with molecular formula C7H12ClNO and molecular weight 161.06 g/mol. IUPAC: azepane-1-carbonyl chloride.
Chemical Property Profile of Hexahydro-1H-azepine-1-carbonyl chloride
Property Insights of Hexahydro-1H-azepine-1-carbonyl chloride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1H-azepine-1-carbonyl chloride. With a topological polar surface area (TPSA) of 20.3 Ų, Hexahydro-1H-azepine-1-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1H-azepine-1-carbonyl chloride has 0 hydrogen bond donor(s) and 1 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 Hexahydro-1H-azepine-1-carbonyl chloride?
The CAS number of Hexahydro-1H-azepine-1-carbonyl chloride is 27817-35-2.
What is the molecular formula of Hexahydro-1H-azepine-1-carbonyl chloride?
The molecular formula of Hexahydro-1H-azepine-1-carbonyl chloride is C7H12ClNO.
What is the molecular weight of Hexahydro-1H-azepine-1-carbonyl chloride?
The molecular weight of Hexahydro-1H-azepine-1-carbonyl chloride is 161.06 g/mol.
Where can I buy Hexahydro-1H-azepine-1-carbonyl chloride?
You can request a quote for Hexahydro-1H-azepine-1-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1H-azepine-1-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1H-azepine-1-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.