A2648/0112808
TL;DR: A2648/0112808 (CAS 306749-89-3) is a chemical compound with molecular formula C17H19F3N2O4S and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: A2648/0112808, 2-(ethylsulfanyl)ethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-(ethylthio)ethyl 6-methyl-2-oxo-4-(4-(trifluoromethoxy)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2-ethylsulfanylethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C17H19F3N2O4S |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 3.5094 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.10178 |
| Heavy Atoms | 27 |
| Complexity | 719.88385 |
Chemical Identifiers
| CAS Number | 306749-89-3 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC(F)(F)F)C |
Product Overview
A2648/0112808 (CAS 306749-89-3), with molecular formula C17H19F3N2O4S and molecular weight 404.10 g/mol. IUPAC: 2-ethylsulfanylethyl 6-methyl-2-oxo-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of A2648/0112808
Property Insights of A2648/0112808
The XLogP value of 3.5094 indicates that A2648/0112808 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 A2648/0112808. Following Lipinski's Rule of Five, A2648/0112808 has 2 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 A2648/0112808?
The CAS number of A2648/0112808 is 306749-89-3.
What is the molecular formula of A2648/0112808?
The molecular formula of A2648/0112808 is C17H19F3N2O4S.
What is the molecular weight of A2648/0112808?
The molecular weight of A2648/0112808 is 404.10 g/mol.
Where can I buy A2648/0112808?
You can request a quote for A2648/0112808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2648/0112808?
Yes, KEHONG BIO provides custom synthesis services for A2648/0112808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.