2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-
TL;DR: 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- (CAS 62159-86-8) is a chemical compound with molecular formula C16H14N4O6 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 5-25-02-00183 (Beilstein Handbook Reference), 1,3,4,5-Tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-, 4,7-Dinitro-5-methoxy-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, 5-methoxy-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
| Molecular Formula | C16H14N4O6 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 1.8881 |
| Topological Polar Surface Area | 127.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09134 |
| Heavy Atoms | 26 |
| Complexity | 887.56366 |
Chemical Identifiers
| CAS Number | 62159-86-8 |
|---|---|
| SMILES | COC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN1[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- (CAS 62159-86-8), with molecular formula C16H14N4O6 and molecular weight 358.09 g/mol. IUPAC: 5-methoxy-4,7-dinitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-
Property Insights of 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-
The XLogP value of 1.8881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-. The TPSA of 127.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-. Following Lipinski's Rule of Five, 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- has 1 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 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-?
The CAS number of 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- is 62159-86-8.
What is the molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-?
The molecular formula of 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- is C16H14N4O6.
What is the molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-?
The molecular weight of 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- is 358.09 g/mol.
Where can I buy 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-?
You can request a quote for 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4,7-dinitro-5-methoxy-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.