5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-
TL;DR: 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro- (CAS 57831-77-3) is a chemical compound with molecular formula C11H11N5O4 and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-7-yl) acetate
Also Known As: 2',1'-c)PYRAZINE,3-NITRO, 6-Acetyloxy-3-nitro-5H,6H,7H-diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 5H,6H,7H-DIIMIDAZO(1,2-a;2',1'-c)(1,4)DIAZEPINE, 6-ACETYLOXY-3-NITRO-, (3-nitro-6,7-dihydro-5H-diimidazo[1,3-b:1',3'-e][1,4]diazepin-7-yl) acetate, 9-Nitro-6,7-dihydro-5H-diimidazo[1,2-a:2',1'-c][1,4]diazepin-5-yl acetate
| Molecular Formula | C11H11N5O4 |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.08112 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 57831-77-3 |
|---|---|
| SMILES | CC(=O)OC1CCN2C(=CN=C2C3=NC=CN13)[N+](=O)[O-] |
| InChIKey | AIZGKHDDSKGRQU-UHFFFAOYSA-N |
Product Overview
5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro- (CAS 57831-77-3), with molecular formula C11H11N5O4 and molecular weight 277.08 g/mol. IUPAC: (11-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-7-yl) acetate.
Chemical Property Profile of 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-
Property Insights of 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-. Following Lipinski's Rule of Five, 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro- has 0 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 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-?
The CAS number of 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro- is 57831-77-3.
What is the molecular formula of 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-?
The molecular formula of 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro- is C11H11N5O4.
What is the molecular weight of 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-?
The molecular weight of 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro- is 277.08 g/mol.
Where can I buy 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-?
You can request a quote for 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-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,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 5H,6H,7H-Diimidazo(1,2-a;2',1'-c)(1,4)diazepine, 6-acetyloxy-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.