1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
TL;DR: 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one (CAS 89141-65-1) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 3-Methyl Mimetazepam, (?)-3-methyl Nimetazepam, 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one, ( inverted exclamation markA)-3-Methyl nimetazepam, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-1,3-DIMETHYL-7-NITRO-5-PHENYL-
| Molecular Formula | C17H15N3O3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.11133 |
| Heavy Atoms | 23 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 89141-65-1 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3)C |
| InChIKey | ASEJDTDWRXVAHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one (CAS 89141-65-1), with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol. IUPAC: 1,3-dimethyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
Property Insights of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one. Following Lipinski's Rule of Five, 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one 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 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one?
The CAS number of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one is 89141-65-1.
What is the molecular formula of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one?
The molecular formula of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one is C17H15N3O3.
What is the molecular weight of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one?
The molecular weight of 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one is 309.11 g/mol.
Where can I buy 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one?
You can request a quote for 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-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 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.