A3421/0145188
TL;DR: A3421/0145188 (CAS 590380-11-3) is a chemical compound with molecular formula C20H22N2OS3 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide
Also Known As: A3421/0145188, 2-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide, 2-[5-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)THIOPHEN-2-YL]-N-(4-METHYLPHENYL)-13-THIAZOLIDINE-3-CARBOTHIOAMIDE, 2-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide, 3-Thiazolidinecarbothioamide, 2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N-(4-methylphenyl)- (9CI)
| Molecular Formula | C20H22N2OS3 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 4.62332 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.08942 |
| Heavy Atoms | 26 |
| Complexity | 840.42175 |
Chemical Identifiers
| CAS Number | 590380-11-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(S3)C#CC(C)(C)O |
Product Overview
A3421/0145188 (CAS 590380-11-3), with molecular formula C20H22N2OS3 and molecular weight 402.09 g/mol. IUPAC: 2-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide.
Chemical Property Profile of A3421/0145188
Property Insights of A3421/0145188
The XLogP value of 4.62332 indicates that A3421/0145188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, A3421/0145188 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3421/0145188 has 2 hydrogen bond donor(s) and 4 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 A3421/0145188?
The CAS number of A3421/0145188 is 590380-11-3.
What is the molecular formula of A3421/0145188?
The molecular formula of A3421/0145188 is C20H22N2OS3.
What is the molecular weight of A3421/0145188?
The molecular weight of A3421/0145188 is 402.09 g/mol.
Where can I buy A3421/0145188?
You can request a quote for A3421/0145188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3421/0145188?
Yes, KEHONG BIO provides custom synthesis services for A3421/0145188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.