![1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol structure](/static/products/3189/318949-14-3.webp)
1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol
TL;DR: 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol (CAS 318949-14-3) is a chemical compound with molecular formula C23H24N2OS and molecular weight 376.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)hept-2-yn-1-ol
Also Known As: Bionet1_002235, 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol, 6K-581S, 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]hept-2-yn-1-ol, 1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)hept-2-yn-1-ol
| Molecular Formula | C23H24N2OS |
|---|---|
| Molecular Weight | 376.16 g/mol |
| LogP | 5.4653 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.16095 |
| Heavy Atoms | 27 |
| Complexity | 923.5074 |
Chemical Identifiers
| CAS Number | 318949-14-3 |
|---|---|
| SMILES | CCCCC#CC(C1=C(N(N=C1C2=CC=CC=C2)C)SC3=CC=CC=C3)O |
Product Overview
1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol (CAS 318949-14-3), with molecular formula C23H24N2OS and molecular weight 376.16 g/mol. IUPAC: 1-(1-methyl-3-phenyl-5-phenylsulfanylpyrazol-4-yl)hept-2-yn-1-ol.
Chemical Property Profile of 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol
Property Insights of 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol
The XLogP value of 5.4653 indicates that 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-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-3-phenyl-5-(phenylsulfanyl)-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-3-phenyl-5-(phenylsulfanyl)-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-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol?
The CAS number of 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol is 318949-14-3.
What is the molecular formula of 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol?
The molecular formula of 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol is C23H24N2OS.
What is the molecular weight of 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol?
The molecular weight of 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol is 376.16 g/mol.
Where can I buy 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol?
You can request a quote for 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-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-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]-2-heptyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.