ChemDiv1_009859
TL;DR: ChemDiv1_009859 (CAS 438244-01-0) is a chemical compound with molecular formula C22H19ClN4O3 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_009859, methyl 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H19ClN4O3 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 3.9936 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.11456 |
| Heavy Atoms | 30 |
| Complexity | 1136.9492 |
Chemical Identifiers
| CAS Number | 438244-01-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC |
Product Overview
ChemDiv1_009859 (CAS 438244-01-0), with molecular formula C22H19ClN4O3 and molecular weight 422.11 g/mol. IUPAC: methyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_009859
Property Insights of ChemDiv1_009859
The XLogP value of 3.9936 indicates that ChemDiv1_009859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009859. Following Lipinski's Rule of Five, ChemDiv1_009859 has 2 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 ChemDiv1_009859?
The CAS number of ChemDiv1_009859 is 438244-01-0.
What is the molecular formula of ChemDiv1_009859?
The molecular formula of ChemDiv1_009859 is C22H19ClN4O3.
What is the molecular weight of ChemDiv1_009859?
The molecular weight of ChemDiv1_009859 is 422.11 g/mol.
Where can I buy ChemDiv1_009859?
You can request a quote for ChemDiv1_009859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009859?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.