![3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid structure](/static/products/838/838845-52-6.png)
3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid
TL;DR: 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid (CAS 838845-52-6) is a chemical compound with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Also Known As: CBKinase1_012397, CBKinase1_024797, 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid, CHEMBRDG-BB 7990865, 0343AF
| Molecular Formula | C11H12N4O2S |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.4439 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.06808 |
| Heavy Atoms | 18 |
| Complexity | 541.23114 |
Chemical Identifiers
| CAS Number | 838845-52-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2 |
Product Overview
3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid (CAS 838845-52-6), with molecular formula C11H12N4O2S and molecular weight 264.07 g/mol. IUPAC: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid
Property Insights of 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid
The XLogP value of 1.4439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid. Following Lipinski's Rule of Five, 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid has 1 hydrogen bond donor(s) and 5 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 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid?
The CAS number of 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid is 838845-52-6.
What is the molecular formula of 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid?
The molecular formula of 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid is C11H12N4O2S.
What is the molecular weight of 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid?
The molecular weight of 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid is 264.07 g/mol.
Where can I buy 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid?
You can request a quote for 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.