ChemDiv1_010165
TL;DR: ChemDiv1_010165 (CAS 438244-00-9) is a chemical compound with molecular formula C22H19BrN4O3 and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_010165, methyl 4-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, AF-399/41115187, methyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C22H19BrN4O3 |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 4.1027 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.06406 |
| Heavy Atoms | 30 |
| Complexity | 1136.9492 |
Chemical Identifiers
| CAS Number | 438244-00-9 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)OC |
Product Overview
ChemDiv1_010165 (CAS 438244-00-9), with molecular formula C22H19BrN4O3 and molecular weight 466.06 g/mol. IUPAC: methyl 4-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_010165
Property Insights of ChemDiv1_010165
The XLogP value of 4.1027 indicates that ChemDiv1_010165 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_010165. Following Lipinski's Rule of Five, ChemDiv1_010165 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_010165?
The CAS number of ChemDiv1_010165 is 438244-00-9.
What is the molecular formula of ChemDiv1_010165?
The molecular formula of ChemDiv1_010165 is C22H19BrN4O3.
What is the molecular weight of ChemDiv1_010165?
The molecular weight of ChemDiv1_010165 is 466.06 g/mol.
Where can I buy ChemDiv1_010165?
You can request a quote for ChemDiv1_010165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010165?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.