(+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
TL;DR: (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine (CAS 321557-86-2) is a chemical compound with molecular formula C37H46N2O4S and molecular weight 614.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl]butyl]benzoic acid
Also Known As: 4prg, THIAZOLIDINONE, THIAZOLIDINONE; GW0072, GW 0072, J2.203.287I
| Molecular Formula | C37H46N2O4S |
|---|---|
| Molecular Weight | 614.32 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 614.3178 |
| Heavy Atoms | 44 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 321557-86-2 |
|---|---|
| SMILES | CCCCCCC[C@H]1N(C(=O)[C@@H](S1)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CCCCC4=CC=C(C=C4)C(=O)O |
| InChIKey | GHJJBEKMPCOSRH-LRHLLKFHSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine (CAS 321557-86-2), with molecular formula C37H46N2O4S and molecular weight 614.32 g/mol. IUPAC: 4-[4-[(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl]butyl]benzoic acid.
Chemical Property Profile of (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
Property Insights of (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine
The XLogP value of 8.4 indicates that (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine. Following Lipinski's Rule of Five, (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine has 1 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 (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine?
The CAS number of (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine is 321557-86-2.
What is the molecular formula of (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine?
The molecular formula of (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine is C37H46N2O4S.
What is the molecular weight of (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine?
The molecular weight of (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine is 614.32 g/mol.
Where can I buy (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine?
You can request a quote for (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine?
Yes, KEHONG BIO provides custom synthesis services for (+/-)(2S,5S)-3-(4-(4-Carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.