![3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol structure](/static/products/3452/345237-58-3.webp)
3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol
TL;DR: 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol (CAS 345237-58-3) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one
Also Known As: 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol, 3-(((4-Chlorophenyl)thio)methyl)-1-phenyl-1H-pyrazol-5-ol, 5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one, 3-([(4-Chlorophenyl)thio]methyl)-1-phenyl-1h-pyrazol-5-ol, 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-phenyl-1H-pyrazol-5-ol
| Molecular Formula | C16H13ClN2OS |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0437 |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 345237-58-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=CC=C(C=C3)Cl |
| InChIKey | DGOQSGRRVWLWLT-UHFFFAOYSA-N |
Product Overview
3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol (CAS 345237-58-3), with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol
Property Insights of 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol
The XLogP value of 4.1 indicates that 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 3 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-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol?
The CAS number of 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol is 345237-58-3.
What is the molecular formula of 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol?
The molecular formula of 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol is C16H13ClN2OS.
What is the molecular weight of 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol?
The molecular weight of 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol is 316.04 g/mol.
Where can I buy 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol?
You can request a quote for 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-chlorophenyl)thio]methyl}-1-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.