ChemDiv1_022086
TL;DR: ChemDiv1_022086 (CAS 96372-25-7) is a chemical compound with molecular formula C29H29N5O2 and molecular weight 479.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(dimethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: ChemDiv1_022086, BAS 00713757, A0435/0020133, 4,4'-((4-(dimethylamino)phenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol), 4,4'-{[4-(dimethylamino)phenyl]methanediyl}bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
| Molecular Formula | C29H29N5O2 |
|---|---|
| Molecular Weight | 479.23 g/mol |
| LogP | 4.50764 |
| Topological Polar Surface Area | 78.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.23212 |
| Heavy Atoms | 36 |
| Complexity | 1506.9572 |
Chemical Identifiers
| CAS Number | 96372-25-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)N(C)C)C4=C(NN(C4=O)C5=CC=CC=C5)C |
Product Overview
ChemDiv1_022086 (CAS 96372-25-7), with molecular formula C29H29N5O2 and molecular weight 479.23 g/mol. IUPAC: 4-[[4-(dimethylamino)phenyl]-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of ChemDiv1_022086
Property Insights of ChemDiv1_022086
The XLogP value of 4.50764 indicates that ChemDiv1_022086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022086. Following Lipinski's Rule of Five, ChemDiv1_022086 has 2 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 ChemDiv1_022086?
The CAS number of ChemDiv1_022086 is 96372-25-7.
What is the molecular formula of ChemDiv1_022086?
The molecular formula of ChemDiv1_022086 is C29H29N5O2.
What is the molecular weight of ChemDiv1_022086?
The molecular weight of ChemDiv1_022086 is 479.23 g/mol.
Where can I buy ChemDiv1_022086?
You can request a quote for ChemDiv1_022086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022086?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.