Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester
TL;DR: Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester (CAS 87461-67-4) is a chemical compound with molecular formula C12H9F7O3 and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester, Heptafluorobutanoic acid, 4-methoxybenzyl ester, (4-Methoxyphenyl)methyl heptafluorobutanoate, (4-methoxyphenyl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate, 4-Methoxybenzyl 2,2,3,3,4,4,4-heptafluorobutanoate #
| Molecular Formula | C12H9F7O3 |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.044 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 87461-67-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | UXRKKLGONWLJCQ-UHFFFAOYSA-N |
Product Overview
Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester (CAS 87461-67-4), with molecular formula C12H9F7O3 and molecular weight 334.04 g/mol. IUPAC: (4-methoxyphenyl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester
Property Insights of Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester
The XLogP value of 4.0 indicates that Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 10 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 Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester?
The CAS number of Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester is 87461-67-4.
What is the molecular formula of Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester?
The molecular formula of Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester is C12H9F7O3.
What is the molecular weight of Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester?
The molecular weight of Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester is 334.04 g/mol.
Where can I buy Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester?
You can request a quote for Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, heptafluoro-, (4-methoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.