Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
TL;DR: Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester (CAS 54504-77-7) is a chemical compound with molecular formula C19H19F3N4O5 and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate
Also Known As: Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate, 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate, BRN 1234354, RefChem:374668
| Molecular Formula | C19H19F3N4O5 |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 1.4632 |
| Topological Polar Surface Area | 97.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.13077 |
| Heavy Atoms | 31 |
| Complexity | 1242.0398 |
Chemical Identifiers
| CAS Number | 54504-77-7 |
|---|---|
| SMILES | CC(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=CC(=C3)C(F)(F)F |
Product Overview
Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester (CAS 54504-77-7), with molecular formula C19H19F3N4O5 and molecular weight 440.13 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-[3-(trifluoromethyl)phenoxy]propanoate.
Chemical Property Profile of Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
Property Insights of Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
The XLogP value of 1.4632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester. The TPSA of 97.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester has 0 hydrogen bond donor(s) and 6 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 Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester?
The CAS number of Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester is 54504-77-7.
What is the molecular formula of Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester?
The molecular formula of Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester is C19H19F3N4O5.
What is the molecular weight of Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester?
The molecular weight of Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester is 440.13 g/mol.
Where can I buy Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester?
You can request a quote for Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-(3-(trifluoromethyl)phenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.