3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-
TL;DR: 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- (CAS 4649-06-3) is a chemical compound with molecular formula C9H13NO3S2 and molecular weight 247.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Also Known As: 6-(4-Oxo-2-thioxo-thiazolidin-3-yl)-hexanoic acid, 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid, 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-, 6-(4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 4-Oxo-2-thioxo-3-thiazolidinehexanoic acid
| Molecular Formula | C9H13NO3S2 |
|---|---|
| Molecular Weight | 247.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.03369 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 4649-06-3 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)CCCCCC(=O)O |
| InChIKey | IRBFCXHIPZRVJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- (CAS 4649-06-3), with molecular formula C9H13NO3S2 and molecular weight 247.03 g/mol. IUPAC: 6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid.
Chemical Property Profile of 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-
Property Insights of 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-. Following Lipinski's Rule of Five, 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- has 1 hydrogen bond donor(s) and 5 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 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-?
The CAS number of 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- is 4649-06-3.
What is the molecular formula of 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-?
The molecular formula of 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- is C9H13NO3S2.
What is the molecular weight of 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-?
The molecular weight of 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- is 247.03 g/mol.
Where can I buy 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-?
You can request a quote for 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiazolidinehexanoic acid, 4-oxo-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.