Azepan-1-yl(2-chloropyridin-3-yl)methanone
TL;DR: Azepan-1-yl(2-chloropyridin-3-yl)methanone (CAS 438467-27-7) is a chemical compound with molecular formula C12H15ClN2O and molecular weight 238.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(2-chloro-3-pyridinyl)methanone
Also Known As: azepan-1-yl(2-chloropyridin-3-yl)methanone, 1-AZEPANYL(2-CHLORO-3-PYRIDINYL)METHANONE, 1-(2-chloropyridine-3-carbonyl)azepane, azepan-1-yl-(2-chloropyridin-3-yl)methanone, 1-[(2-chloro-3-pyridinyl)carbonyl]azepane
| Molecular Formula | C12H15ClN2O |
|---|---|
| Molecular Weight | 238.09 g/mol |
| LogP | 2.7512 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.0873 |
| Heavy Atoms | 16 |
| Complexity | 373.03644 |
Chemical Identifiers
| CAS Number | 438467-27-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=C(N=CC=C2)Cl |
Product Overview
Azepan-1-yl(2-chloropyridin-3-yl)methanone (CAS 438467-27-7), with molecular formula C12H15ClN2O and molecular weight 238.09 g/mol. IUPAC: azepan-1-yl-(2-chloro-3-pyridinyl)methanone.
Chemical Property Profile of Azepan-1-yl(2-chloropyridin-3-yl)methanone
Property Insights of Azepan-1-yl(2-chloropyridin-3-yl)methanone
The XLogP value of 2.7512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl(2-chloropyridin-3-yl)methanone. With a topological polar surface area (TPSA) of 33.2 Ų, Azepan-1-yl(2-chloropyridin-3-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl(2-chloropyridin-3-yl)methanone 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 Azepan-1-yl(2-chloropyridin-3-yl)methanone?
The CAS number of Azepan-1-yl(2-chloropyridin-3-yl)methanone is 438467-27-7.
What is the molecular formula of Azepan-1-yl(2-chloropyridin-3-yl)methanone?
The molecular formula of Azepan-1-yl(2-chloropyridin-3-yl)methanone is C12H15ClN2O.
What is the molecular weight of Azepan-1-yl(2-chloropyridin-3-yl)methanone?
The molecular weight of Azepan-1-yl(2-chloropyridin-3-yl)methanone is 238.09 g/mol.
Where can I buy Azepan-1-yl(2-chloropyridin-3-yl)methanone?
You can request a quote for Azepan-1-yl(2-chloropyridin-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl(2-chloropyridin-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(2-chloropyridin-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.