4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester
TL;DR: 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester (CAS 51145-23-4) is a chemical compound with molecular formula C14H11F7O5 and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-(2-methoxy-2-oxoethyl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester, 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid methyl ester, [2-methoxy-4-(2-methoxy-2-oxoethyl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate, 2-Methoxy-4-(2-methoxy-2-oxoethyl)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate #
| Molecular Formula | C14H11F7O5 |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.04947 |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 51145-23-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC(=O)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | BOLLFWMSRLLFMX-UHFFFAOYSA-N |
Product Overview
4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester (CAS 51145-23-4), with molecular formula C14H11F7O5 and molecular weight 392.05 g/mol. IUPAC: [2-methoxy-4-(2-methoxy-2-oxoethyl)phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester
Property Insights of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester
The XLogP value of 3.9 indicates that 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester. Following Lipinski's Rule of Five, 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester?
The CAS number of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester is 51145-23-4.
What is the molecular formula of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester?
The molecular formula of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester is C14H11F7O5.
What is the molecular weight of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester?
The molecular weight of 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester is 392.05 g/mol.
Where can I buy 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester?
You can request a quote for 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptafluorobutyryloxy-3-methoxybenzeneacetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.