![4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol structure](/static/products/1005/1005664-40-3.webp)
4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
TL;DR: 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol (CAS 1005664-40-3) is a chemical compound with molecular formula C14H15N5O2S and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dimethylpyrazol-4-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol, 4-(4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)-2-methoxyphenol, 4-[4-(1,3-dimethylpyrazol-4-yl)-5-sulfanyl(1,2,4-triazol-3-yl)]-2-methoxypheno l, 4-[4-(1,3-dimethylpyrazol-4-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one
| Molecular Formula | C14H15N5O2S |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.35301 |
| Topological Polar Surface Area | 80.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.09464 |
| Heavy Atoms | 22 |
| Complexity | 893.018 |
Chemical Identifiers
| CAS Number | 1005664-40-3 |
|---|---|
| SMILES | CC1=NN(C=C1N2C(=NNC2=S)C3=CC(=C(C=C3)O)OC)C |
Product Overview
4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol (CAS 1005664-40-3), with molecular formula C14H15N5O2S and molecular weight 317.09 g/mol. IUPAC: 4-(1,3-dimethylpyrazol-4-yl)-3-(4-hydroxy-3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
Property Insights of 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol
The XLogP value of 2.35301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol. The TPSA of 80.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol. Following Lipinski's Rule of Five, 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol has 2 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 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol?
The CAS number of 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol is 1005664-40-3.
What is the molecular formula of 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol?
The molecular formula of 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol is C14H15N5O2S.
What is the molecular weight of 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol?
The molecular weight of 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol is 317.09 g/mol.
Where can I buy 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol?
You can request a quote for 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-2-methoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.