4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide
TL;DR: 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide (CAS 485822-71-7) is a chemical compound with molecular formula C11H9ClN2O4S and molecular weight 300.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitro-N-(2-oxothiolan-3-yl)benzamide
Also Known As: BAS 01936996, 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide, 4-chloro-2-nitro-N-(2-oxothiolan-3-yl)benzamide, 4-chloro-2-nitro-N-(2-oxotetrahydro-3-thienyl)benzamide, 4-Chloro-2-nitro-N-(2-oxo-tetrahydro-thiophen-3-yl)-benzamide
| Molecular Formula | C11H9ClN2O4S |
|---|---|
| Molecular Weight | 300.00 g/mol |
| LogP | 2.0101 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.99716 |
| Heavy Atoms | 19 |
| Complexity | 563.6262 |
Chemical Identifiers
| CAS Number | 485822-71-7 |
|---|---|
| SMILES | C1CSC(=O)C1NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide (CAS 485822-71-7), with molecular formula C11H9ClN2O4S and molecular weight 300.00 g/mol. IUPAC: 4-chloro-2-nitro-N-(2-oxothiolan-3-yl)benzamide.
Chemical Property Profile of 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide
Property Insights of 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide
The XLogP value of 2.0101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide. Following Lipinski's Rule of Five, 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-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 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
The CAS number of 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide is 485822-71-7.
What is the molecular formula of 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
The molecular formula of 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide is C11H9ClN2O4S.
What is the molecular weight of 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
The molecular weight of 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide is 300.00 g/mol.
Where can I buy 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
You can request a quote for 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-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 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-nitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.