![4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid structure](/static/products/301/301353-08-2.png)
4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid
TL;DR: 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid (CAS 301353-08-2) is a chemical compound with molecular formula C21H28N2O4S and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxycarbonyl-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]octanoic acid
Also Known As: BAS 00333725, 4-(ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid, 4-(ethoxycarbonyl)-4-(2-(p-tolylamino)thiazol-4-yl)octanoic acid, 2-Butyl-2-(2-p-tolylamino-thiazol-4-yl)-pentanedioic acid 1-ethyl ester, 4-ethoxycarbonyl-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]octanoic acid
| Molecular Formula | C21H28N2O4S |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 5.05102 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 404.17697 |
| Heavy Atoms | 28 |
| Complexity | 787.9582 |
Chemical Identifiers
| CAS Number | 301353-08-2 |
|---|---|
| SMILES | CCCCC(CCC(=O)O)(C1=CSC(=N1)NC2=CC=C(C=C2)C)C(=O)OCC |
Product Overview
4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid (CAS 301353-08-2), with molecular formula C21H28N2O4S and molecular weight 404.18 g/mol. IUPAC: 4-ethoxycarbonyl-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]octanoic acid.
Chemical Property Profile of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid
Property Insights of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid
The XLogP value of 5.05102 indicates that 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid. Following Lipinski's Rule of Five, 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid?
The CAS number of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid is 301353-08-2.
What is the molecular formula of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid?
The molecular formula of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid is C21H28N2O4S.
What is the molecular weight of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid?
The molecular weight of 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid is 404.18 g/mol.
Where can I buy 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid?
You can request a quote for 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethoxycarbonyl)-4-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}octanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.