2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one
TL;DR: 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one (CAS 37546-88-6) 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-8-nitro-1,3-dihydro-1,5-benzodiazepin-2-one
Also Known As: SPSMFAZVQTWOQE-UHFFFAOYSA-, 4-methyl-8-nitro-1,3-dihydro-1,5-benzodiazepin-2-one, 4-methyl-8-nitro-2,3-dihydro-1,5-benzodiazepin-2-one, 1,3-Dihydro-4-methyl-8-nitro-2H-1,5-benzodiazepin-2-one, 2,3-Dihydro-4-methyl-8-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 | 37546-88-6 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C1 |
| InChIKey | SPSMFAZVQTWOQE-UHFFFAOYSA-N |
Product Overview
2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one (CAS 37546-88-6), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 4-methyl-8-nitro-1,3-dihydro-1,5-benzodiazepin-2-one.
Chemical Property Profile of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one
Property Insights of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one. Following Lipinski's Rule of Five, 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one 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 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one?
The CAS number of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one is 37546-88-6.
What is the molecular formula of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one?
The molecular formula of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one is C10H9N3O3.
What is the molecular weight of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one?
The molecular weight of 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one is 219.06 g/mol.
Where can I buy 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one?
You can request a quote for 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-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 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-4-methyl-8-nitro-1H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.