2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide
TL;DR: 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide (CAS 353464-18-3) is a chemical compound with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide
Also Known As: 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide, BAS 00500954, BIM-0018823.P001, 2-methyl-3-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide, 2-Methyl-3-nitro-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide
| Molecular Formula | C12H12N2O4S |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 1.66512 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0518 |
| Heavy Atoms | 19 |
| Complexity | 558.6604 |
Chemical Identifiers
| CAS Number | 353464-18-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CCSC2=O |
Product Overview
2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide (CAS 353464-18-3), with molecular formula C12H12N2O4S and molecular weight 280.05 g/mol. IUPAC: 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide.
Chemical Property Profile of 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide
Property Insights of 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide
The XLogP value of 1.66512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide. Following Lipinski's Rule of Five, 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide has 1 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 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide?
The CAS number of 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide is 353464-18-3.
What is the molecular formula of 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide?
The molecular formula of 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide is C12H12N2O4S.
What is the molecular weight of 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide?
The molecular weight of 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide is 280.05 g/mol.
Where can I buy 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide?
You can request a quote for 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-nitro-N-(2-oxothiolan-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.