3-nitro-N-(2-oxothiolan-3-yl)benzamide
TL;DR: 3-nitro-N-(2-oxothiolan-3-yl)benzamide (CAS 466683-08-9) is a chemical compound with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(2-oxothiolan-3-yl)benzamide
Also Known As: 3-nitro-N-(2-oxothiolan-3-yl)benzamide, BAS 00623560, 3-nitro-N-(2-oxotetrahydro-3-thienyl)benzamide, AB00081950-01, 3-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide
| Molecular Formula | C11H10N2O4S |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 1.3567 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.03613 |
| Heavy Atoms | 18 |
| Complexity | 517.5196 |
Chemical Identifiers
| CAS Number | 466683-08-9 |
|---|---|
| SMILES | C1CSC(=O)C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-nitro-N-(2-oxothiolan-3-yl)benzamide (CAS 466683-08-9), with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol. IUPAC: 3-nitro-N-(2-oxothiolan-3-yl)benzamide.
Chemical Property Profile of 3-nitro-N-(2-oxothiolan-3-yl)benzamide
Property Insights of 3-nitro-N-(2-oxothiolan-3-yl)benzamide
The XLogP value of 1.3567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 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 3-nitro-N-(2-oxothiolan-3-yl)benzamide. Following Lipinski's Rule of Five, 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 3-nitro-N-(2-oxothiolan-3-yl)benzamide?
The CAS number of 3-nitro-N-(2-oxothiolan-3-yl)benzamide is 466683-08-9.
What is the molecular formula of 3-nitro-N-(2-oxothiolan-3-yl)benzamide?
The molecular formula of 3-nitro-N-(2-oxothiolan-3-yl)benzamide is C11H10N2O4S.
What is the molecular weight of 3-nitro-N-(2-oxothiolan-3-yl)benzamide?
The molecular weight of 3-nitro-N-(2-oxothiolan-3-yl)benzamide is 266.04 g/mol.
Where can I buy 3-nitro-N-(2-oxothiolan-3-yl)benzamide?
You can request a quote for 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 3-nitro-N-(2-oxothiolan-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(2-oxothiolan-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.