2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
TL;DR: 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine (CAS 67259-53-4) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine
Also Known As: NCI60_015316, 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine, 2-(4-chlorophenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine, 2-methylthio-4-(p-chlorophenyl)-3H-1,5-benzodiazepine, 4-(4-Chlorophenyl)-3H-1,5-benzodiazepin-2-yl methyl sulfide
| Molecular Formula | C16H13ClN2S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 50.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0488 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 67259-53-4 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)Cl |
| InChIKey | BNIMMKNKRKZBSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine (CAS 67259-53-4), with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol. IUPAC: 2-(4-chlorophenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine.
Chemical Property Profile of 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
Property Insights of 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
The XLogP value of 4.2 indicates that 2-(4-Chlorophenyl)-4-(methylthio)-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 50.0 Ų, 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine has 0 hydrogen bond donor(s) and 3 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 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine?
The CAS number of 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine is 67259-53-4.
What is the molecular formula of 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine?
The molecular formula of 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine is C16H13ClN2S.
What is the molecular weight of 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine?
The molecular weight of 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine is 300.05 g/mol.
Where can I buy 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine?
You can request a quote for 2-(4-Chlorophenyl)-4-(methylthio)-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-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.