![2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate structure](/static/products/5651/565166-63-4.webp)
2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate
TL;DR: 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate (CAS 565166-63-4) 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-[(4-chlorobenzoyl)amino]ethyl 4-methylbenzenesulfonate
Also Known As: 2-[(4-chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate, Toluene-4-sulfonic acid 2-(4-chloro-benzoylamino)-ethyl ester, 2-[(4-chlorobenzoyl)amino]ethyl 4-methylbenzenesulfonate, 2-[(4-chlorophenyl)formamido]ethyl4-methylbenzene-1-sulfonate
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 2.78372 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 770.7325 |
Chemical Identifiers
| CAS Number | 565166-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate (CAS 565166-63-4), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: 2-[(4-chlorobenzoyl)amino]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate
Property Insights of 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate
The XLogP value of 2.78372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-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 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate?
The CAS number of 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate is 565166-63-4.
What is the molecular formula of 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate?
The molecular formula of 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate is C16H16ClNO4S.
What is the molecular weight of 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate?
The molecular weight of 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate is 353.05 g/mol.
Where can I buy 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate?
You can request a quote for 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)formamido]ethyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.