CTK1A3313
TL;DR: CTK1A3313 (CAS 25651-76-7) is a chemical compound with molecular formula C12H14N2O3S3 and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-thiazolidineacetic acid, 5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-, 2-[5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, 5-[1-METHYL-2-(3-METHYL-2-THIAZOLIDINYLIDENE)ETHYLIDENE]-4-OXO- 2-THIOXO-3- THIAZOLIDINEACETIC ACID, 5-[1-Methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid, 2-((Z)-5-((Z)-1-(3-methylthiazolidin-2-ylidene)propan-2-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
| Molecular Formula | C12H14N2O3S3 |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.01666 |
| Heavy Atoms | 20 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 25651-76-7 |
|---|---|
| SMILES | CC(=C1C(=O)N(C(=S)S1)CC(=O)O)C=C2N(CCS2)C |
| InChIKey | LNKNWPNGZMWPFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK1A3313 (CAS 25651-76-7), with molecular formula C12H14N2O3S3 and molecular weight 330.02 g/mol. IUPAC: 2-[5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of CTK1A3313
Property Insights of CTK1A3313
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1A3313. The TPSA of 144.0 Ų indicates high polarity, suggesting CTK1A3313 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK1A3313 has 1 hydrogen bond donor(s) and 7 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 CTK1A3313?
The CAS number of CTK1A3313 is 25651-76-7.
What is the molecular formula of CTK1A3313?
The molecular formula of CTK1A3313 is C12H14N2O3S3.
What is the molecular weight of CTK1A3313?
The molecular weight of CTK1A3313 is 330.02 g/mol.
Where can I buy CTK1A3313?
You can request a quote for CTK1A3313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1A3313?
Yes, KEHONG BIO provides custom synthesis services for CTK1A3313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.