5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
TL;DR: 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one (CAS 61983-98-0) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one
Also Known As: 1,5-Dihydro-5-methoxy-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one, 5-25-02-00231 (Beilstein Handbook Reference), 5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,5-dihydro-5-methoxy-7-nitro-5-phenyl-, 5-methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.4652 |
| Topological Polar Surface Area | 93.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 804.2276 |
Chemical Identifiers
| CAS Number | 61983-98-0 |
|---|---|
| SMILES | COC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C=N1)C3=CC=CC=C3 |
Product Overview
5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one (CAS 61983-98-0), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 5-methoxy-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
Property Insights of 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
The XLogP value of 2.4652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one. The TPSA of 93.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one. Following Lipinski's Rule of Five, 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 5 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-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
The CAS number of 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one is 61983-98-0.
What is the molecular formula of 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
The molecular formula of 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one is C16H13N3O4.
What is the molecular weight of 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
The molecular weight of 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one is 311.09 g/mol.
Where can I buy 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
You can request a quote for 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-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-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.