5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-
TL;DR: 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- (CAS 57831-75-1) is a chemical compound with molecular formula C9H8ClN5O2 and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-5-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraene
Also Known As: 6,7-Dihydro-6-chloro-3-nitro-5H-diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-, 6-Chloro-3-nitro-6,7-dihydro-5H-diimidazo[1,2-a:2',1'-c][1,4]diazepine, BRN 1144509, RefChem:305640
| Molecular Formula | C9H8ClN5O2 |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 1.2758 |
| Topological Polar Surface Area | 78.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.03665 |
| Heavy Atoms | 17 |
| Complexity | 589.9756 |
Chemical Identifiers
| CAS Number | 57831-75-1 |
|---|---|
| SMILES | C1C(CN2C(=CN=C2C3=NC=CN31)[N+](=O)[O-])Cl |
Product Overview
5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- (CAS 57831-75-1), with molecular formula C9H8ClN5O2 and molecular weight 253.04 g/mol. IUPAC: 8-chloro-5-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraene.
Chemical Property Profile of 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-
Property Insights of 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-
The XLogP value of 1.2758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-. The TPSA of 78.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-. Following Lipinski's Rule of Five, 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- has 0 hydrogen bond donor(s) and 4 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 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-?
The CAS number of 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- is 57831-75-1.
What is the molecular formula of 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-?
The molecular formula of 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- is C9H8ClN5O2.
What is the molecular weight of 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-?
The molecular weight of 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- is 253.04 g/mol.
Where can I buy 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-?
You can request a quote for 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Diimidazo(1,2-a:2',1'-c)(1,4)diazepine, 6,7-dihydro-6-chloro-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.