1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one
TL;DR: 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one (CAS 108641-00-5) is a chemical compound with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-nitrobenzoate
Also Known As: 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-, 7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl 4-nitrobenzoate, (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-nitrobenzoate, RefChem:1065045
| Molecular Formula | C22H14ClN3O5 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 4.2208 |
| Topological Polar Surface Area | 110.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.0622 |
| Heavy Atoms | 31 |
| Complexity | 1209.5758 |
Chemical Identifiers
| CAS Number | 108641-00-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one (CAS 108641-00-5), with molecular formula C22H14ClN3O5 and molecular weight 435.06 g/mol. IUPAC: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-nitrobenzoate.
Chemical Property Profile of 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one
Property Insights of 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one
The XLogP value of 4.2208 indicates that 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one. Following Lipinski's Rule of Five, 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 6 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 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one?
The CAS number of 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one is 108641-00-5.
What is the molecular formula of 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one?
The molecular formula of 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one is C22H14ClN3O5.
What is the molecular weight of 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one?
The molecular weight of 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one is 435.06 g/mol.
Where can I buy 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one?
You can request a quote for 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-7-chloro-3-((4-nitrobenzoyl)oxy)-5-phenyl-2H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.