5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
TL;DR: 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one (CAS 294892-91-4) is a chemical compound with molecular formula C15H9ClN4O5 and molecular weight 360.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: ChemDiv1_022356, 5-(2-chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one, 5-{2-chloro-5-nitrophenyl}-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C15H9ClN4O5 |
|---|---|
| Molecular Weight | 360.03 g/mol |
| LogP | 2.9459 |
| Topological Polar Surface Area | 127.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.02615 |
| Heavy Atoms | 25 |
| Complexity | 956.93304 |
Chemical Identifiers
| CAS Number | 294892-91-4 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one (CAS 294892-91-4), with molecular formula C15H9ClN4O5 and molecular weight 360.03 g/mol. IUPAC: 5-(2-chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Property Insights of 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
The XLogP value of 2.9459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one. The TPSA of 127.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one. Following Lipinski's Rule of Five, 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-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 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one?
The CAS number of 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one is 294892-91-4.
What is the molecular formula of 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one?
The molecular formula of 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one is C15H9ClN4O5.
What is the molecular weight of 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one?
The molecular weight of 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one is 360.03 g/mol.
Where can I buy 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one?
You can request a quote for 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-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 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-5-nitrophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.