1-Dichlorophosphorylazepane
TL;DR: 1-Dichlorophosphorylazepane (CAS 89583-52-8) is a chemical compound with molecular formula C6H12Cl2NOP and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dichlorophosphorylazepane
Also Known As: 1-dichlorophosphorylazepane, Azepan-1-ylphosphonic dichloride, 2-AMINO-1-PYRIDIN-2-YL-ETHANONEDIHYDROCHLORIDE
| Molecular Formula | C6H12Cl2NOP |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.00336 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 89583-52-8 |
|---|---|
| SMILES | C1CCCN(CC1)P(=O)(Cl)Cl |
| InChIKey | FGQAYEJGKVGLOB-UHFFFAOYSA-N |
Product Overview
1-Dichlorophosphorylazepane (CAS 89583-52-8), with molecular formula C6H12Cl2NOP and molecular weight 215.00 g/mol. IUPAC: 1-dichlorophosphorylazepane.
Chemical Property Profile of 1-Dichlorophosphorylazepane
Property Insights of 1-Dichlorophosphorylazepane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Dichlorophosphorylazepane. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Dichlorophosphorylazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dichlorophosphorylazepane 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 1-Dichlorophosphorylazepane?
The CAS number of 1-Dichlorophosphorylazepane is 89583-52-8.
What is the molecular formula of 1-Dichlorophosphorylazepane?
The molecular formula of 1-Dichlorophosphorylazepane is C6H12Cl2NOP.
What is the molecular weight of 1-Dichlorophosphorylazepane?
The molecular weight of 1-Dichlorophosphorylazepane is 215.00 g/mol.
Where can I buy 1-Dichlorophosphorylazepane?
You can request a quote for 1-Dichlorophosphorylazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dichlorophosphorylazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-Dichlorophosphorylazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.