1-(3-Chloropropyl)azepane
TL;DR: 1-(3-Chloropropyl)azepane (CAS 2056-39-5) is a chemical compound with molecular formula C9H18ClN and molecular weight 175.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropropyl)azepane
Also Known As: 1-(3-chloropropyl)azepane, NCIOpen2_005765, 1-(3-chloropropyl)azepane hydrochloride
| Molecular Formula | C9H18ClN |
|---|---|
| Molecular Weight | 175.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.11278 |
| Heavy Atoms | 11 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 2056-39-5 |
|---|---|
| SMILES | C1CCCN(CC1)CCCCl |
| InChIKey | HBOZHTSTTRVJNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chloropropyl)azepane (CAS 2056-39-5), with molecular formula C9H18ClN and molecular weight 175.11 g/mol. IUPAC: 1-(3-chloropropyl)azepane.
Chemical Property Profile of 1-(3-Chloropropyl)azepane
Property Insights of 1-(3-Chloropropyl)azepane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloropropyl)azepane. With a topological polar surface area (TPSA) of 3.2 Ų, 1-(3-Chloropropyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloropropyl)azepane 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 1-(3-Chloropropyl)azepane?
The CAS number of 1-(3-Chloropropyl)azepane is 2056-39-5.
What is the molecular formula of 1-(3-Chloropropyl)azepane?
The molecular formula of 1-(3-Chloropropyl)azepane is C9H18ClN.
What is the molecular weight of 1-(3-Chloropropyl)azepane?
The molecular weight of 1-(3-Chloropropyl)azepane is 175.11 g/mol.
Where can I buy 1-(3-Chloropropyl)azepane?
You can request a quote for 1-(3-Chloropropyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloropropyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloropropyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.