4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate
TL;DR: 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate (CAS 433964-14-8) is a chemical compound with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-4-chlorophenyl) 3,4-dimethylbenzenesulfonate
Also Known As: 4-chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate, (2-acetamido-4-chlorophenyl) 3,4-dimethylbenzenesulfonate, 2-(acetylamino)-4-chlorophenyl 3,4-dimethylbenzenesulfonate
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 3.68294 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 862.3791 |
Chemical Identifiers
| CAS Number | 433964-14-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)NC(=O)C)C |
Product Overview
4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate (CAS 433964-14-8), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: (2-acetamido-4-chlorophenyl) 3,4-dimethylbenzenesulfonate.
Chemical Property Profile of 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate
Property Insights of 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate
The XLogP value of 3.68294 indicates that 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate has 1 hydrogen bond donor(s) and 4 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-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate?
The CAS number of 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate is 433964-14-8.
What is the molecular formula of 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate?
The molecular formula of 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate is C16H16ClNO4S.
What is the molecular weight of 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate?
The molecular weight of 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate is 353.05 g/mol.
Where can I buy 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate?
You can request a quote for 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate 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-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-acetamidophenyl 3,4-dimethylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.