![1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol structure](/static/products/3189/318949-13-2.webp)
1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol
TL;DR: 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol (CAS 318949-13-2) is a chemical compound with molecular formula C24H26N2OS and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]hept-2-yn-1-ol
Also Known As: Bionet1_002233, 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol, 6K-580S, 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}hept-2-yn-1-ol, 1-[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]hept-2-yn-1-ol
| Molecular Formula | C24H26N2OS |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 5.77372 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.17657 |
| Heavy Atoms | 28 |
| Complexity | 965.58 |
Chemical Identifiers
| CAS Number | 318949-13-2 |
|---|---|
| SMILES | CCCCC#CC(C1=C(N(N=C1C2=CC=CC=C2)C)SC3=CC=C(C=C3)C)O |
Product Overview
1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol (CAS 318949-13-2), with molecular formula C24H26N2OS and molecular weight 390.18 g/mol. IUPAC: 1-[1-methyl-5-(4-methylphenyl)sulfanyl-3-phenylpyrazol-4-yl]hept-2-yn-1-ol.
Chemical Property Profile of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol
Property Insights of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol
The XLogP value of 5.77372 indicates that 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.05 Ų, 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol?
The CAS number of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol is 318949-13-2.
What is the molecular formula of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol?
The molecular formula of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol is C24H26N2OS.
What is the molecular weight of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol?
The molecular weight of 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol is 390.18 g/mol.
Where can I buy 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol?
You can request a quote for 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}-2-heptyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.