3-Nitro-3H-1,5-benzodiazepine
TL;DR: 3-Nitro-3H-1,5-benzodiazepine (CAS 73620-18-5) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-3H-1,5-benzodiazepine
Also Known As: 3-nitro-3h-1,5-benzodiazepine, 3-nitro-1H-1,5-benzodiazepine, 3-(Hydroxy(oxido)amino)-3H-1,5-benzodiazepine, 3H-1,5-Benzodiazepine,3-nitro, 3H-1,5-Benzodiazepine,3-nitro-
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 73620-18-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CC(C=N2)[N+](=O)[O-] |
| InChIKey | SGIGOTZNQITOJU-UHFFFAOYSA-N |
Product Overview
3-Nitro-3H-1,5-benzodiazepine (CAS 73620-18-5), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 3-nitro-3H-1,5-benzodiazepine.
Chemical Property Profile of 3-Nitro-3H-1,5-benzodiazepine
Property Insights of 3-Nitro-3H-1,5-benzodiazepine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-3H-1,5-benzodiazepine. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-3H-1,5-benzodiazepine. Following Lipinski's Rule of Five, 3-Nitro-3H-1,5-benzodiazepine 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 3-Nitro-3H-1,5-benzodiazepine?
The CAS number of 3-Nitro-3H-1,5-benzodiazepine is 73620-18-5.
What is the molecular formula of 3-Nitro-3H-1,5-benzodiazepine?
The molecular formula of 3-Nitro-3H-1,5-benzodiazepine is C9H7N3O2.
What is the molecular weight of 3-Nitro-3H-1,5-benzodiazepine?
The molecular weight of 3-Nitro-3H-1,5-benzodiazepine is 189.05 g/mol.
Where can I buy 3-Nitro-3H-1,5-benzodiazepine?
You can request a quote for 3-Nitro-3H-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-3H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-3H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.