ChemDiv3_003488
TL;DR: ChemDiv3_003488 (CAS 313049-75-1) is a chemical compound with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: ChemDiv3_003488, IDI1_021398, 2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5,5-dimethylcyclohexane-1,3-dione, BRD-K32289708-001-01-9, 2-((3-(4-methoxyphenyl)-1-phenyl-1h-pyrazol-4-yl)methylene)-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C25H24N2O3 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.8895 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.17868 |
| Heavy Atoms | 30 |
| Complexity | 1100.9602 |
Chemical Identifiers
| CAS Number | 313049-75-1 |
|---|---|
| SMILES | CC1(CC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(=O)C1)C |
Product Overview
ChemDiv3_003488 (CAS 313049-75-1), with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of ChemDiv3_003488
Property Insights of ChemDiv3_003488
The XLogP value of 4.8895 indicates that ChemDiv3_003488 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003488. Following Lipinski's Rule of Five, ChemDiv3_003488 has 0 hydrogen bond donor(s) and 4 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 ChemDiv3_003488?
The CAS number of ChemDiv3_003488 is 313049-75-1.
What is the molecular formula of ChemDiv3_003488?
The molecular formula of ChemDiv3_003488 is C25H24N2O3.
What is the molecular weight of ChemDiv3_003488?
The molecular weight of ChemDiv3_003488 is 400.18 g/mol.
Where can I buy ChemDiv3_003488?
You can request a quote for ChemDiv3_003488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003488?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.