ChemDiv1_002050
TL;DR: ChemDiv1_002050 (CAS 330674-88-9) is a chemical compound with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_002050, BAS 01051816, 4-methylbenzyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, A1872/0078770, 4-methylbenzyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C20H19BrN2O3 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 4.12882 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.05792 |
| Heavy Atoms | 26 |
| Complexity | 874.87994 |
Chemical Identifiers
| CAS Number | 330674-88-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)NC2C3=CC(=CC=C3)Br)C |
Product Overview
ChemDiv1_002050 (CAS 330674-88-9), with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol. IUPAC: (4-methylphenyl)methyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_002050
Property Insights of ChemDiv1_002050
The XLogP value of 4.12882 indicates that ChemDiv1_002050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002050. Following Lipinski's Rule of Five, ChemDiv1_002050 has 2 hydrogen bond donor(s) and 3 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_002050?
The CAS number of ChemDiv1_002050 is 330674-88-9.
What is the molecular formula of ChemDiv1_002050?
The molecular formula of ChemDiv1_002050 is C20H19BrN2O3.
What is the molecular weight of ChemDiv1_002050?
The molecular weight of ChemDiv1_002050 is 414.06 g/mol.
Where can I buy ChemDiv1_002050?
You can request a quote for ChemDiv1_002050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002050?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.