4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
TL;DR: 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine (CAS 5986-31-2) is a chemical compound with molecular formula C21H16ClN3O2 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
Also Known As: BAS 01836853, 4-(4-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine, BIM-0030746.P001, 4-(4-Chloro-phenyl)-2-(4-nitro-phenyl)-2,3-dihydro-1H-benzo[b][1,4]diazepine
| Molecular Formula | C21H16ClN3O2 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 5.9259 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.0931 |
| Heavy Atoms | 27 |
| Complexity | 1014.3565 |
Chemical Identifiers
| CAS Number | 5986-31-2 |
|---|---|
| SMILES | C1C(NC2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine (CAS 5986-31-2), with molecular formula C21H16ClN3O2 and molecular weight 377.09 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
Property Insights of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
The XLogP value of 5.9259 indicates that 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine?
The CAS number of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine is 5986-31-2.
What is the molecular formula of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine?
The molecular formula of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine is C21H16ClN3O2.
What is the molecular weight of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine?
The molecular weight of 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine is 377.09 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine?
You can request a quote for 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-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 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.