3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide
TL;DR: 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide (CAS 185052-52-2) is a chemical compound with molecular formula C11H9N3O6S and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide
Also Known As: 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide, BAS 00623629, 3,5-bisnitro-N-(2-oxotetrahydro-3-thienyl)benzamide, 3,5-dinitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide, 3,5-Dinitro-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide
| Molecular Formula | C11H9N3O6S |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 1.2649 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0212 |
| Heavy Atoms | 21 |
| Complexity | 614.59576 |
Chemical Identifiers
| CAS Number | 185052-52-2 |
|---|---|
| SMILES | C1CSC(=O)C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide (CAS 185052-52-2), with molecular formula C11H9N3O6S and molecular weight 311.02 g/mol. IUPAC: 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide.
Chemical Property Profile of 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide
Property Insights of 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide
The XLogP value of 1.2649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide. Following Lipinski's Rule of Five, 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide has 1 hydrogen bond donor(s) and 7 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 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide?
The CAS number of 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide is 185052-52-2.
What is the molecular formula of 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide?
The molecular formula of 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide is C11H9N3O6S.
What is the molecular weight of 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide?
The molecular weight of 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide is 311.02 g/mol.
Where can I buy 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide?
You can request a quote for 3,5-dinitro-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 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.