![2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid structure](/static/products/295/29560-50-7.png)
2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid
TL;DR: 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid (CAS 29560-50-7) is a chemical compound with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2Z)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid
Also Known As: 6R-0038, 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid, 2-[(2Z)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid, 2-[(2Z)-4-oxo-3-phenyl-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-5-yl]acetic acid, 2-[4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic Acid
| Molecular Formula | C13H11N5O3S |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 1.0205 |
| Topological Polar Surface Area | 100.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.05826 |
| Heavy Atoms | 22 |
| Complexity | 716.5415 |
Chemical Identifiers
| CAS Number | 29560-50-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N\2C(=O)C(S/C2=N\N3C=NN=C3)CC(=O)O |
Product Overview
2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid (CAS 29560-50-7), with molecular formula C13H11N5O3S and molecular weight 317.06 g/mol. IUPAC: 2-[(2Z)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid.
Chemical Property Profile of 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid
Property Insights of 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid
The XLogP value of 1.0205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid. The TPSA of 100.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid. Following Lipinski's Rule of Five, 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid has 1 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 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid?
The CAS number of 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid is 29560-50-7.
What is the molecular formula of 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid?
The molecular formula of 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid is C13H11N5O3S.
What is the molecular weight of 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid?
The molecular weight of 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid is 317.06 g/mol.
Where can I buy 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid?
You can request a quote for 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-oxo-3-phenyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-5-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.