![1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate structure](/static/products/1219/1219410-29-3.webp)
1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate
TL;DR: 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate (CAS 1219410-29-3) is a chemical compound with molecular formula C24H27ClN2O3S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazolidine-3-carboxylate
Also Known As: 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate, tert-butyl 2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazolidine-3-carboxylate, tert-butyl 2-(4-chlorophenyl)-4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-1,3-thiazolidine-3-carboxylate
| Molecular Formula | C24H27ClN2O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 5.276 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 458.1431 |
| Heavy Atoms | 31 |
| Complexity | 973.53485 |
Chemical Identifiers
| CAS Number | 1219410-29-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C(CSC1C2=CC=C(C=C2)Cl)C(=O)N3CCC4=CC=CC=C4C3 |
Product Overview
1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate (CAS 1219410-29-3), with molecular formula C24H27ClN2O3S and molecular weight 458.14 g/mol. IUPAC: tert-butyl 2-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazolidine-3-carboxylate.
Chemical Property Profile of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate
Property Insights of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate
The XLogP value of 5.276 indicates that 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate?
The CAS number of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate is 1219410-29-3.
What is the molecular formula of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate?
The molecular formula of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate is C24H27ClN2O3S.
What is the molecular weight of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate?
The molecular weight of 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate is 458.14 g/mol.
Where can I buy 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate?
You can request a quote for 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl 2-(4-chlorophenyl)-4-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-3-thiazolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.