ChemDiv1_009957
TL;DR: ChemDiv1_009957 (CAS 432001-61-1) is a chemical compound with molecular formula C25H26N4O4 and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_009957, AB00117301-01, methyl 4-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C25H26N4O4 |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 4.04732 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1954 |
| Heavy Atoms | 33 |
| Complexity | 1230.4589 |
Chemical Identifiers
| CAS Number | 432001-61-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OC)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_009957 (CAS 432001-61-1), with molecular formula C25H26N4O4 and molecular weight 446.20 g/mol. IUPAC: methyl 4-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_009957
Property Insights of ChemDiv1_009957
The XLogP value of 4.04732 indicates that ChemDiv1_009957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009957. Following Lipinski's Rule of Five, ChemDiv1_009957 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 ChemDiv1_009957?
The CAS number of ChemDiv1_009957 is 432001-61-1.
What is the molecular formula of ChemDiv1_009957?
The molecular formula of ChemDiv1_009957 is C25H26N4O4.
What is the molecular weight of ChemDiv1_009957?
The molecular weight of ChemDiv1_009957 is 446.20 g/mol.
Where can I buy ChemDiv1_009957?
You can request a quote for ChemDiv1_009957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009957?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.