ChemDiv1_010169
TL;DR: ChemDiv1_010169 (CAS 438244-09-8) is a chemical compound with molecular formula C24H23BrN4O4 and molecular weight 510.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_010169, ethyl 4-(3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 6-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C24H23BrN4O4 |
|---|---|
| Molecular Weight | 510.09 g/mol |
| LogP | 4.5014 |
| Topological Polar Surface Area | 94.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.09027 |
| Heavy Atoms | 33 |
| Complexity | 1236.5161 |
Chemical Identifiers
| CAS Number | 438244-09-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CN(N=C2C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_010169 (CAS 438244-09-8), with molecular formula C24H23BrN4O4 and molecular weight 510.09 g/mol. IUPAC: ethyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_010169
Property Insights of ChemDiv1_010169
The XLogP value of 4.5014 indicates that ChemDiv1_010169 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_010169. Following Lipinski's Rule of Five, ChemDiv1_010169 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010169?
The CAS number of ChemDiv1_010169 is 438244-09-8.
What is the molecular formula of ChemDiv1_010169?
The molecular formula of ChemDiv1_010169 is C24H23BrN4O4.
What is the molecular weight of ChemDiv1_010169?
The molecular weight of ChemDiv1_010169 is 510.09 g/mol.
Where can I buy ChemDiv1_010169?
You can request a quote for ChemDiv1_010169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010169?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.