Diantipyryl(3-hydroxyphenyl)methane
TL;DR: Diantipyryl(3-hydroxyphenyl)methane (CAS 168210-85-3) is a chemical compound with molecular formula C29H28N4O3 and molecular weight 480.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: Diantipyryl(3-hydroxyphenyl)methane, AA-504/33957034, 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(3-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4,4'-[(3-hydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one), 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
| Molecular Formula | C29H28N4O3 |
|---|---|
| Molecular Weight | 480.22 g/mol |
| LogP | 4.16804 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.21616 |
| Heavy Atoms | 36 |
| Complexity | 1568.0028 |
Chemical Identifiers
| CAS Number | 168210-85-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC=C3)O)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
Diantipyryl(3-hydroxyphenyl)methane (CAS 168210-85-3), with molecular formula C29H28N4O3 and molecular weight 480.22 g/mol. IUPAC: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(3-hydroxyphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of Diantipyryl(3-hydroxyphenyl)methane
Property Insights of Diantipyryl(3-hydroxyphenyl)methane
The XLogP value of 4.16804 indicates that Diantipyryl(3-hydroxyphenyl)methane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Diantipyryl(3-hydroxyphenyl)methane. Following Lipinski's Rule of Five, Diantipyryl(3-hydroxyphenyl)methane 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 Diantipyryl(3-hydroxyphenyl)methane?
The CAS number of Diantipyryl(3-hydroxyphenyl)methane is 168210-85-3.
What is the molecular formula of Diantipyryl(3-hydroxyphenyl)methane?
The molecular formula of Diantipyryl(3-hydroxyphenyl)methane is C29H28N4O3.
What is the molecular weight of Diantipyryl(3-hydroxyphenyl)methane?
The molecular weight of Diantipyryl(3-hydroxyphenyl)methane is 480.22 g/mol.
Where can I buy Diantipyryl(3-hydroxyphenyl)methane?
You can request a quote for Diantipyryl(3-hydroxyphenyl)methane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diantipyryl(3-hydroxyphenyl)methane?
Yes, KEHONG BIO provides custom synthesis services for Diantipyryl(3-hydroxyphenyl)methane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.