7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
TL;DR: 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one (CAS 115846-71-4) is a chemical compound with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,9-dinitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
Also Known As: 7,9-dinitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one, 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 7,9-Dinitro-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one, 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one #, 7,9-dinitro-1H,2H,3H,4H-benzo[f]1,4-diazaperhydroepin-5-one
| Molecular Formula | C9H8N4O5 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.04947 |
| Heavy Atoms | 18 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 115846-71-4 |
|---|---|
| SMILES | C1CNC(=O)C2=C(N1)C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DURANIMFVQVBFK-UHFFFAOYSA-N |
Product Overview
7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one (CAS 115846-71-4), with molecular formula C9H8N4O5 and molecular weight 252.05 g/mol. IUPAC: 7,9-dinitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one.
Chemical Property Profile of 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Property Insights of 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one. Following Lipinski's Rule of Five, 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one has 2 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 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
The CAS number of 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one is 115846-71-4.
What is the molecular formula of 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
The molecular formula of 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one is C9H8N4O5.
What is the molecular weight of 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
The molecular weight of 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one is 252.05 g/mol.
Where can I buy 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
You can request a quote for 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7,9-Dinitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.