ChemDiv1_001066
TL;DR: ChemDiv1_001066 (CAS 303136-98-3) is a chemical compound with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_001066, BAS 00679735, ethyl 4-(4-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(4-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ethyl 4-(4-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C20H19BrN2O4 |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 3.786 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.05283 |
| Heavy Atoms | 27 |
| Complexity | 875.8597 |
Chemical Identifiers
| CAS Number | 303136-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_001066 (CAS 303136-98-3), with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol. IUPAC: ethyl 4-(4-bromophenyl)-6-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001066
Property Insights of ChemDiv1_001066
The XLogP value of 3.786 indicates that ChemDiv1_001066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001066. Following Lipinski's Rule of Five, ChemDiv1_001066 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_001066?
The CAS number of ChemDiv1_001066 is 303136-98-3.
What is the molecular formula of ChemDiv1_001066?
The molecular formula of ChemDiv1_001066 is C20H19BrN2O4.
What is the molecular weight of ChemDiv1_001066?
The molecular weight of ChemDiv1_001066 is 430.05 g/mol.
Where can I buy ChemDiv1_001066?
You can request a quote for ChemDiv1_001066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001066?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.