4-Chlorobenzoic acid,undecyl ester
TL;DR: 4-Chlorobenzoic acid,undecyl ester (CAS 6317-80-2) is a chemical compound with molecular formula C23H28N2O7S and molecular weight 476.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]methyl]propanedioate
Also Known As: 4-Chlorobenzoic acid,undecyl ester, diethyl(acetylamino)(3-{[(4-methylphenyl)sulfonyl]amino}benzyl)propanedioate, diethyl 2-acetamido-2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]methyl]propanedioate, Diethyl acetamido({3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}methyl)propanedioate, Propanedioic acid,2-(acetylamino)-2-[[3-[[(4-methylphenyl)sulfonyl]amino]phenyl]methyl]-,1,3-diethyl ester
| Molecular Formula | C23H28N2O7S |
|---|---|
| Molecular Weight | 476.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 476.1617 |
| Heavy Atoms | 33 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 6317-80-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C)(C(=O)OCC)NC(=O)C |
| InChIKey | UZOJDOGHPUSRET-UHFFFAOYSA-N |
Product Overview
4-Chlorobenzoic acid,undecyl ester (CAS 6317-80-2), with molecular formula C23H28N2O7S and molecular weight 476.16 g/mol. IUPAC: diethyl 2-acetamido-2-[[3-[(4-methylphenyl)sulfonylamino]phenyl]methyl]propanedioate.
Chemical Property Profile of 4-Chlorobenzoic acid,undecyl ester
Property Insights of 4-Chlorobenzoic acid,undecyl ester
The XLogP value of 3.0 indicates that 4-Chlorobenzoic acid,undecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorobenzoic acid,undecyl ester. Following Lipinski's Rule of Five, 4-Chlorobenzoic acid,undecyl ester has 2 hydrogen bond donor(s) and 8 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-Chlorobenzoic acid,undecyl ester?
The CAS number of 4-Chlorobenzoic acid,undecyl ester is 6317-80-2.
What is the molecular formula of 4-Chlorobenzoic acid,undecyl ester?
The molecular formula of 4-Chlorobenzoic acid,undecyl ester is C23H28N2O7S.
What is the molecular weight of 4-Chlorobenzoic acid,undecyl ester?
The molecular weight of 4-Chlorobenzoic acid,undecyl ester is 476.16 g/mol.
Where can I buy 4-Chlorobenzoic acid,undecyl ester?
You can request a quote for 4-Chlorobenzoic acid,undecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzoic acid,undecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzoic acid,undecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.