CTK3F0588
TL;DR: CTK3F0588 (CAS 82158-64-3) is a chemical compound with molecular formula C14H10N2O3S2 and molecular weight 318.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
Also Known As: 3-Thiazolidineaceticacid, 5-(1H-indol-3-ylmethylene)-4-oxo-2-thioxo-, 2-[(5Z)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C14H10N2O3S2 |
|---|---|
| Molecular Weight | 318.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.01328 |
| Heavy Atoms | 21 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 82158-64-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC3=C(N(C(=S)S3)CC(=O)O)O)C=N2 |
| InChIKey | NWAKIGGEFKLHPE-UHFFFAOYSA-N |
Product Overview
CTK3F0588 (CAS 82158-64-3), with molecular formula C14H10N2O3S2 and molecular weight 318.01 g/mol. IUPAC: 2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid.
Chemical Property Profile of CTK3F0588
Property Insights of CTK3F0588
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3F0588. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK3F0588. Following Lipinski's Rule of Five, CTK3F0588 has 2 hydrogen bond donor(s) and 6 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 CTK3F0588?
The CAS number of CTK3F0588 is 82158-64-3.
What is the molecular formula of CTK3F0588?
The molecular formula of CTK3F0588 is C14H10N2O3S2.
What is the molecular weight of CTK3F0588?
The molecular weight of CTK3F0588 is 318.01 g/mol.
Where can I buy CTK3F0588?
You can request a quote for CTK3F0588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3F0588?
Yes, KEHONG BIO provides custom synthesis services for CTK3F0588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.