1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine
TL;DR: 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine (CAS 78060-67-0) is a chemical compound with molecular formula C9H12Cl4N2O2 and molecular weight 319.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-[4-(2,2-dichloroacetyl)-1,4-diazepan-1-yl]ethanone
Also Known As: 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine, 2,2-dichloro-1-[4-(2,2-dichloroacetyl)-1,4-diazepan-1-yl]ethanone
| Molecular Formula | C9H12Cl4N2O2 |
|---|---|
| Molecular Weight | 319.97 g/mol |
| LogP | 1.6547 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.9653 |
| Heavy Atoms | 17 |
| Complexity | 270.72043 |
Chemical Identifiers
| CAS Number | 78060-67-0 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl |
Product Overview
1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine (CAS 78060-67-0), with molecular formula C9H12Cl4N2O2 and molecular weight 319.97 g/mol. IUPAC: 2,2-dichloro-1-[4-(2,2-dichloroacetyl)-1,4-diazepan-1-yl]ethanone.
Chemical Property Profile of 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine
Property Insights of 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine
The XLogP value of 1.6547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine. With a topological polar surface area (TPSA) of 40.62 Ų, 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine 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 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine?
The CAS number of 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine is 78060-67-0.
What is the molecular formula of 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine?
The molecular formula of 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine is C9H12Cl4N2O2.
What is the molecular weight of 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine?
The molecular weight of 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine is 319.97 g/mol.
Where can I buy 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine?
You can request a quote for 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine?
Yes, KEHONG BIO provides custom synthesis services for 1,4-bis(dichloroacetyl)hexahydro-1H-1,4-Diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.