ChemDiv1_005294
TL;DR: ChemDiv1_005294 (CAS 310440-80-3) 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.
ethyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_005294, Salor-int l429570-1ea, BAS 00777579, SDCCGSBI-0659258.P001, ethyl 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C23H21ClN4O3 |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 4.3837 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.13022 |
| Heavy Atoms | 31 |
| Complexity | 1153.3245 |
Chemical Identifiers
| CAS Number | 310440-80-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_005294 (CAS 310440-80-3), with molecular formula C23H21ClN4O3 and molecular weight 436.13 g/mol. IUPAC: ethyl 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_005294
Property Insights of ChemDiv1_005294
The XLogP value of 4.3837 indicates that ChemDiv1_005294 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_005294. Following Lipinski's Rule of Five, ChemDiv1_005294 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_005294?
The CAS number of ChemDiv1_005294 is 310440-80-3.
What is the molecular formula of ChemDiv1_005294?
The molecular formula of ChemDiv1_005294 is C23H21ClN4O3.
What is the molecular weight of ChemDiv1_005294?
The molecular weight of ChemDiv1_005294 is 436.13 g/mol.
Where can I buy ChemDiv1_005294?
You can request a quote for ChemDiv1_005294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005294?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.