1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine
TL;DR: 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine (CAS 54935-01-2) is a chemical compound with molecular formula C9H15Cl2N and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dichloroprop-1-enyl)azepane
Also Known As: 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine
| Molecular Formula | C9H15Cl2N |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05815 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 54935-01-2 |
|---|---|
| SMILES | C1CCCN(CC1)C=C(CCl)Cl |
| InChIKey | WHLMOXZXMDOKSX-UHFFFAOYSA-N |
Product Overview
1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine (CAS 54935-01-2), with molecular formula C9H15Cl2N and molecular weight 207.06 g/mol. IUPAC: 1-(2,3-dichloroprop-1-enyl)azepane.
Chemical Property Profile of 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine
Property Insights of 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine. With a topological polar surface area (TPSA) of 3.2 Ų, 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine 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-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine?
The CAS number of 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine is 54935-01-2.
What is the molecular formula of 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine?
The molecular formula of 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine is C9H15Cl2N.
What is the molecular weight of 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine?
The molecular weight of 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine is 207.06 g/mol.
Where can I buy 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine?
You can request a quote for 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dichloro-1-propenyl)hexahydro-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.