ChemDiv1_010123
TL;DR: ChemDiv1_010123 (CAS 432018-69-4) is a chemical compound with molecular formula C23H21ClN4O3 and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ChemDiv1_010123, F0916-3503, methyl 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 6-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3,4-dimethyl-2-oxo-1,3,6-tr ihydropyrimidine-5-carboxylate
| Molecular Formula | C23H21ClN4O3 |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 4.3358 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.13022 |
| Heavy Atoms | 31 |
| Complexity | 1169.2921 |
Chemical Identifiers
| CAS Number | 432018-69-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC |
Product Overview
ChemDiv1_010123 (CAS 432018-69-4), with molecular formula C23H21ClN4O3 and molecular weight 436.13 g/mol. IUPAC: methyl 6-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_010123
Property Insights of ChemDiv1_010123
The XLogP value of 4.3358 indicates that ChemDiv1_010123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010123. Following Lipinski's Rule of Five, ChemDiv1_010123 has 1 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_010123?
The CAS number of ChemDiv1_010123 is 432018-69-4.
What is the molecular formula of ChemDiv1_010123?
The molecular formula of ChemDiv1_010123 is C23H21ClN4O3.
What is the molecular weight of ChemDiv1_010123?
The molecular weight of ChemDiv1_010123 is 436.13 g/mol.
Where can I buy ChemDiv1_010123?
You can request a quote for ChemDiv1_010123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010123?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.