![4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol structure](/static/products/955/955866-08-7.png)
4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol (CAS 955866-08-7) is a chemical compound with molecular formula C18H14ClN5OS and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol, A2875/0121138, 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione, 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)pyrazol-5-yl]-1,2,4-triazoline-5-thio ne
| Molecular Formula | C18H14ClN5OS |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 4.64899 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.06076 |
| Heavy Atoms | 26 |
| Complexity | 1113.0743 |
Chemical Identifiers
| CAS Number | 955866-08-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC=C4Cl |
Product Overview
4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol (CAS 955866-08-7), with molecular formula C18H14ClN5OS and molecular weight 383.06 g/mol. IUPAC: 4-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.64899 indicates that 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol 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 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is 955866-08-7.
What is the molecular formula of 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is C18H14ClN5OS.
What is the molecular weight of 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol is 383.06 g/mol.
Where can I buy 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chlorophenyl)-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.