5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
TL;DR: 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one (CAS 62159-90-4) is a chemical compound with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one
Also Known As: 1,5-Dihydro-5-methoxy-1-methyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one, 5-25-02-00231 (Beilstein Handbook Reference), 5-methoxy-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one, 5-methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,5-DIHYDRO-5-METHOXY-1-METHYL-7-NITRO-5-PHENYL-
| Molecular Formula | C17H15N3O4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.10626 |
| Heavy Atoms | 24 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 62159-90-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(N=CC1=O)(C3=CC=CC=C3)OC |
| InChIKey | NDPFUBYMLCCUPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one (CAS 62159-90-4), with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol. IUPAC: 5-methoxy-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
Property Insights of 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one. Following Lipinski's Rule of Five, 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one has 0 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-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
The CAS number of 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one is 62159-90-4.
What is the molecular formula of 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
The molecular formula of 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one is C17H15N3O4.
What is the molecular weight of 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
The molecular weight of 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one is 325.11 g/mol.
Where can I buy 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
You can request a quote for 5-Methoxy-1-methyl-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-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-1-methyl-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.