YS 3025
TL;DR: YS 3025 (CAS 138320-33-9) is a chemical compound with molecular formula C12H13NO4S3 and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(thiophene-2-carbonylsulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
Also Known As: YS 3025, 4-Thiazolidinecarboxylic acid, 3-(1-oxo-2-((2-thienylcarbonyl)thio)propyl)-, 3-[2-(thiophene-2-carbonylsulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid, 3-(2-(2-Thiophenecarboxythio))propanoyl-4-thioazolidinecarboxylic acid, 3-{2-[(Thiophene-2-carbonyl)sulfanyl]propanoyl}-1,3-thiazolidine-4-carboxylic acid
| Molecular Formula | C12H13NO4S3 |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.00067 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 138320-33-9 |
|---|---|
| SMILES | CC(C(=O)N1CSCC1C(=O)O)SC(=O)C2=CC=CS2 |
| InChIKey | DZGHGYXXFVHASM-UHFFFAOYSA-N |
Product Overview
YS 3025 (CAS 138320-33-9), with molecular formula C12H13NO4S3 and molecular weight 331.00 g/mol. IUPAC: 3-[2-(thiophene-2-carbonylsulfanyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of YS 3025
Property Insights of YS 3025
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for YS 3025. The TPSA of 154.0 Ų indicates high polarity, suggesting YS 3025 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, YS 3025 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 YS 3025?
The CAS number of YS 3025 is 138320-33-9.
What is the molecular formula of YS 3025?
The molecular formula of YS 3025 is C12H13NO4S3.
What is the molecular weight of YS 3025?
The molecular weight of YS 3025 is 331.00 g/mol.
Where can I buy YS 3025?
You can request a quote for YS 3025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YS 3025?
Yes, KEHONG BIO provides custom synthesis services for YS 3025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.