Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester
TL;DR: Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester (CAS 71013-61-1) is a chemical compound with molecular formula C21H22ClN3O5S2 and molecular weight 495.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-[4-(dimethylamino)phenyl]methanesulfonic acid
Also Known As: Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester, [[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-(4-dimethylaminophenyl)methanesulfonic acid, {[4-(4-Chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}[4-(dimethylamino)phenyl]methanesulfonic acid, RefChem:384604
| Molecular Formula | C21H22ClN3O5S2 |
|---|---|
| Molecular Weight | 495.07 g/mol |
| LogP | 4.2435 |
| Topological Polar Surface Area | 108.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.06894 |
| Heavy Atoms | 32 |
| Complexity | 1193.178 |
Chemical Identifiers
| CAS Number | 71013-61-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(NC2=NC(=C(S2)CC(=O)OC)C3=CC=C(C=C3)Cl)S(=O)(=O)O |
Product Overview
Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester (CAS 71013-61-1), with molecular formula C21H22ClN3O5S2 and molecular weight 495.07 g/mol. IUPAC: [[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-[4-(dimethylamino)phenyl]methanesulfonic acid.
Chemical Property Profile of Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester
Property Insights of Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester
The XLogP value of 4.2435 indicates that Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester. Following Lipinski's Rule of Five, Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl 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 Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester?
The CAS number of Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester is 71013-61-1.
What is the molecular formula of Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester?
The molecular formula of Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester is C21H22ClN3O5S2.
What is the molecular weight of Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester?
The molecular weight of Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester is 495.07 g/mol.
Where can I buy Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester?
You can request a quote for Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiazole-5-acetic acid, 4-(p-chlorophenyl)-2-((p-(dimethylamino)-alpha-sulfobenzyl)amino)-, alpha-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.