![3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol structure](/static/products/122/1227691-67-9.png)
3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol
TL;DR: 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol (CAS 1227691-67-9) is a chemical compound with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-3-one
Also Known As: 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol, 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-3-one, 5-((4-chlorophenylthio)methyl)-2-methyl-1H-pyrazol-3(2H)-one, 5-[[(4-chlorophenyl)thio]methyl]-2-methyl-1H-pyrazol-3-one, 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-methyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C11H11ClN2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.6591 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.02806 |
| Heavy Atoms | 16 |
| Complexity | 529.6627 |
Chemical Identifiers
| CAS Number | 1227691-67-9 |
|---|---|
| SMILES | CN1C(=O)C=C(N1)CSC2=CC=C(C=C2)Cl |
Product Overview
3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol (CAS 1227691-67-9), with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol. IUPAC: 5-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol
Property Insights of 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol
The XLogP value of 2.6591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 37.79 Ų, 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 2 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)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol?
The CAS number of 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol is 1227691-67-9.
What is the molecular formula of 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol?
The molecular formula of 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol is C11H11ClN2OS.
What is the molecular weight of 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol?
The molecular weight of 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol is 254.03 g/mol.
Where can I buy 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol?
You can request a quote for 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-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)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-methyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.