4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide
TL;DR: 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide (CAS 314768-48-4) is a chemical compound with molecular formula C12H13ClN2O5S and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide
Also Known As: AB00097855-01, 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide, AS-871/40508971, 4-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-3-nitro-N-methylbenzamide, 4-chloro-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-methyl-3-nitrobenzamide
| Molecular Formula | C12H13ClN2O5S |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 1.5073 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02338 |
| Heavy Atoms | 21 |
| Complexity | 703.59937 |
Chemical Identifiers
| CAS Number | 314768-48-4 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide (CAS 314768-48-4), with molecular formula C12H13ClN2O5S and molecular weight 332.02 g/mol. IUPAC: 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide
Property Insights of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide
The XLogP value of 1.5073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide has 0 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-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide?
The CAS number of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide is 314768-48-4.
What is the molecular formula of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide?
The molecular formula of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide is C12H13ClN2O5S.
What is the molecular weight of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide?
The molecular weight of 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide is 332.02 g/mol.
Where can I buy 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide?
You can request a quote for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.