1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-
TL;DR: 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- (CAS 4928-07-8) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: (+/-)-3-methyl Nitrazepam, ( inverted exclamation markA)-3-Methyl nitrazepam, 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-, 3-methyl-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one, 3-Methyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 4928-07-8 |
|---|---|
| SMILES | CC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3 |
| InChIKey | PRMIWZTXQDCXCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- (CAS 4928-07-8), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 3-methyl-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-
Property Insights of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-. Following Lipinski's Rule of Five, 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- has 1 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 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-?
The CAS number of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- is 4928-07-8.
What is the molecular formula of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-?
The molecular formula of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- is C16H13N3O3.
What is the molecular weight of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-?
The molecular weight of 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- is 295.10 g/mol.
Where can I buy 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-?
You can request a quote for 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,4-Benzodiazepin-2(3H)-one, 3-methyl-5-phenyl-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.