ChemDiv1_001902
TL;DR: ChemDiv1_001902 (CAS 313243-56-0) is a chemical compound with molecular formula C15H14BrF3N2O5 and molecular weight 438.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ChemDiv1_001902, BAS 00915721, 2,2,2-trifluoroethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2,2,2-trifluoroethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2,2,2-trifluoroethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C15H14BrF3N2O5 |
|---|---|
| Molecular Weight | 438.00 g/mol |
| LogP | 2.8967 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.0038 |
| Heavy Atoms | 26 |
| Complexity | 779.28076 |
Chemical Identifiers
| CAS Number | 313243-56-0 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC(F)(F)F |
Product Overview
ChemDiv1_001902 (CAS 313243-56-0), with molecular formula C15H14BrF3N2O5 and molecular weight 438.00 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ChemDiv1_001902
Property Insights of ChemDiv1_001902
The XLogP value of 2.8967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_001902. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001902. Following Lipinski's Rule of Five, ChemDiv1_001902 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_001902?
The CAS number of ChemDiv1_001902 is 313243-56-0.
What is the molecular formula of ChemDiv1_001902?
The molecular formula of ChemDiv1_001902 is C15H14BrF3N2O5.
What is the molecular weight of ChemDiv1_001902?
The molecular weight of ChemDiv1_001902 is 438.00 g/mol.
Where can I buy ChemDiv1_001902?
You can request a quote for ChemDiv1_001902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001902?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.