amino}benzoate structure](/static/products/835/83588-03-8.png)
Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate
TL;DR: Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate (CAS 83588-03-8) is a chemical compound with molecular formula C24H33NO4S and molecular weight 431.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-methylphenyl)sulfonyl-octylamino]benzoate
Also Known As: ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate, ethyl 4-[(4-methylphenyl)sulfonyl-octylamino]benzoate, Ethyl 4-(4-methyl-N-octylbenzene-1-sulfonamido)benzoate, Benzoic acid,4-[[(4-methylphenyl)sulfonyl]octylamino]-, ethyl ester
| Molecular Formula | C24H33NO4S |
|---|---|
| Molecular Weight | 431.21 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 431.21304 |
| Heavy Atoms | 30 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 83588-03-8 |
|---|---|
| SMILES | CCCCCCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | GDEFZAKVOAMTKT-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate (CAS 83588-03-8), with molecular formula C24H33NO4S and molecular weight 431.21 g/mol. IUPAC: ethyl 4-[(4-methylphenyl)sulfonyl-octylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate
Property Insights of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate
The XLogP value of 6.6 indicates that Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate?
The CAS number of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate is 83588-03-8.
What is the molecular formula of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate?
The molecular formula of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate is C24H33NO4S.
What is the molecular weight of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate?
The molecular weight of Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate is 431.21 g/mol.
Where can I buy Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate?
You can request a quote for Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(4-methylphenyl)sulfonyl](octyl)amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.