2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine
TL;DR: 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine (CAS 845666-97-9) is a chemical compound with molecular formula C17H14Cl2N2 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine
Also Known As: 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine, 2-Dichloromethyl-7-methyl-4-phenyl-3H-benzo[b][1,4]diazepine, 2-(dichloromethyl)-7-methyl-4-phenyl-3H-benzo[b][1,4]diazepine, 2-[bis(chloranyl)methyl]-7-methyl-4-phenyl-3H-1,5-benzodiazepine
| Molecular Formula | C17H14Cl2N2 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 5.39572 |
| Topological Polar Surface Area | 24.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0534 |
| Heavy Atoms | 21 |
| Complexity | 718.8249 |
Chemical Identifiers
| CAS Number | 845666-97-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(CC(=N2)C3=CC=CC=C3)C(Cl)Cl |
Product Overview
2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine (CAS 845666-97-9), with molecular formula C17H14Cl2N2 and molecular weight 316.05 g/mol. IUPAC: 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine.
Chemical Property Profile of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine
Property Insights of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine
The XLogP value of 5.39572 indicates that 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.72 Ų, 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine?
The CAS number of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine is 845666-97-9.
What is the molecular formula of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine?
The molecular formula of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine is C17H14Cl2N2.
What is the molecular weight of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine?
The molecular weight of 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine is 316.05 g/mol.
Where can I buy 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine?
You can request a quote for 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(dichloromethyl)-7-methyl-4-phenyl-3H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.