2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester
TL;DR: 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester (CAS 3449-42-1) is a chemical compound with molecular formula C20H22F6O8 and molecular weight 504.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)oxane-3,5-dicarboxylate
Also Known As: 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester, 3-thiophen-2-ylmethyleneamino-oxazolidin-2-one, diethyl 2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)oxane-3,5-dicarboxylate, diethyl 2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluorom, diethyl 2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)tetrahydropyran-3,5-dicarboxylate
| Molecular Formula | C20H22F6O8 |
|---|---|
| Molecular Weight | 504.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.1219 |
| Heavy Atoms | 34 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 3449-42-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(OC1(C(F)(F)F)O)(C(F)(F)F)O)C(=O)OCC)C2=CC=C(C=C2)OC |
| InChIKey | ZWCDTIWOHIYUPI-UHFFFAOYSA-N |
Product Overview
2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester (CAS 3449-42-1), with molecular formula C20H22F6O8 and molecular weight 504.12 g/mol. IUPAC: diethyl 2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)oxane-3,5-dicarboxylate.
Chemical Property Profile of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester
Property Insights of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester
The XLogP value of 3.9 indicates that 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester. Following Lipinski's Rule of Five, 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester?
The CAS number of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester is 3449-42-1.
What is the molecular formula of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester?
The molecular formula of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester is C20H22F6O8.
What is the molecular weight of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester?
The molecular weight of 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester is 504.12 g/mol.
Where can I buy 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester?
You can request a quote for 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-3,5-dicarboxylic acid, tetrahydro-2,6-dihydroxy-4-(4-methoxyphenyl)-2,6-bis(trifluoromethyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.