2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol
TL;DR: 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol (CAS 765286-90-6) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1,4-dihydropyrazole-5-thione
Also Known As: 4-((3-Allyl-2-hydroxybenzylidene)amino)-3-(3-isopropoxyphenyl)-1H-pyrazole-5(4H)-thione, 2-ALLYL-6-(((3-(3-ISOPROPOXYPHENYL)-5-MERCAPTO-4H-PYRAZOL-4-YL)IMINO)ME)PHENOL, 6-[[[3-(3-propan-2-yloxyphenyl)-5-sulfanylidene-1,4-dihydropyrazol-4-yl]amino]methylidene]-2-prop-2-enylcyclohexa-2,4-dien-1-one, 644-035-5, RefChem:462892
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.0303 |
| Topological Polar Surface Area | 66.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 950.5481 |
Chemical Identifiers
| CAS Number | 765286-90-6 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)C2N=CC3=CC=CC(=C3O)CC=C |
Product Overview
2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol (CAS 765286-90-6), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1,4-dihydropyrazole-5-thione.
Chemical Property Profile of 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol
Property Insights of 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol
The XLogP value of 4.0303 indicates that 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol. Following Lipinski's Rule of Five, 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol has 2 hydrogen bond donor(s) and 5 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 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol?
The CAS number of 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol is 765286-90-6.
What is the molecular formula of 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol?
The molecular formula of 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol is C22H23N3O2S.
What is the molecular weight of 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol?
The molecular weight of 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol is 393.15 g/mol.
Where can I buy 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol?
You can request a quote for 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Allyl-6-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-pyrazol-4-YL)imino)ME)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.