2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-
TL;DR: 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro- (CAS 37546-86-4) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-7-nitro-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-, 4-methyl-7-nitro-1,3-dihydro-1,5-benzodiazepin-2-one, BIM-0016367.P001, 4-Methyl-7-nitro-1,3-dihydro-2H-1,5-benzodiazepin-2-one, 2,3-Dihydro-4-methyl-7-nitro-1H-1,5-benzodiazepin-2-one
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 37546-86-4 |
|---|---|
| SMILES | CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C1 |
| InChIKey | XRCMCWYNHVSDJX-UHFFFAOYSA-N |
Product Overview
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro- (CAS 37546-86-4), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 4-methyl-7-nitro-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-
Property Insights of 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-. Following Lipinski's Rule of Five, 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-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 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-?
The CAS number of 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro- is 37546-86-4.
What is the molecular formula of 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-?
The molecular formula of 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro- is C10H9N3O3.
What is the molecular weight of 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-?
The molecular weight of 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro- is 219.06 g/mol.
Where can I buy 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-?
You can request a quote for 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.