Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate
TL;DR: Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate (CAS 62510-19-4) is a chemical compound with molecular formula C16H10F10O7 and molecular weight 504.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[2-methoxy-2-oxo-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
Also Known As: Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate, Benzeneacetic acid, 3-methoxy-.alpha.,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester, [2-Methoxy-4-[2-methoxy-2-oxo-1-(perfluoropropanoyloxy)ethyl]phenyl] perfluoropropanoate, 3-Methoxy-alpha,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)benzeneacetic acid methyl ester, alpha,4-Bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-3-methoxybenzeneacetic acid methyl ester
| Molecular Formula | C16H10F10O7 |
|---|---|
| Molecular Weight | 504.03 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 504.02667 |
| Heavy Atoms | 33 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 62510-19-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(C(=O)OC)OC(=O)C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F |
| InChIKey | NLGXQXMWPNVCSU-UHFFFAOYSA-N |
Product Overview
Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate (CAS 62510-19-4), with molecular formula C16H10F10O7 and molecular weight 504.03 g/mol. IUPAC: [2-methoxy-4-[2-methoxy-2-oxo-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate
Property Insights of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate
The XLogP value of 5.0 indicates that Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate. Following Lipinski's Rule of Five, Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate has 0 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate?
The CAS number of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate is 62510-19-4.
What is the molecular formula of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate?
The molecular formula of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate is C16H10F10O7.
What is the molecular weight of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate?
The molecular weight of Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate is 504.03 g/mol.
Where can I buy Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate?
You can request a quote for Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate?
Yes, KEHONG BIO provides custom synthesis services for Methyl O,O'-bis(pentafluoropropionoyl)vanilmandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.