ChemDiv1_001870
TL;DR: ChemDiv1_001870 (CAS 313245-05-5) is a chemical compound with molecular formula C20H19BrN2O5 and molecular weight 446.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_001870, BAS 00915358, ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C20H19BrN2O5 |
|---|---|
| Molecular Weight | 446.05 g/mol |
| LogP | 3.4916 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.04773 |
| Heavy Atoms | 28 |
| Complexity | 943.1123 |
Chemical Identifiers
| CAS Number | 313245-05-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C(=C2)Br)O)OC)C3=CC=CC=C3 |
Product Overview
ChemDiv1_001870 (CAS 313245-05-5), with molecular formula C20H19BrN2O5 and molecular weight 446.05 g/mol. IUPAC: ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001870
Property Insights of ChemDiv1_001870
The XLogP value of 3.4916 indicates that ChemDiv1_001870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001870. Following Lipinski's Rule of Five, ChemDiv1_001870 has 3 hydrogen bond donor(s) and 5 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_001870?
The CAS number of ChemDiv1_001870 is 313245-05-5.
What is the molecular formula of ChemDiv1_001870?
The molecular formula of ChemDiv1_001870 is C20H19BrN2O5.
What is the molecular weight of ChemDiv1_001870?
The molecular weight of ChemDiv1_001870 is 446.05 g/mol.
Where can I buy ChemDiv1_001870?
You can request a quote for ChemDiv1_001870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001870?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.