Heptafluorobutyric acid, cyclohexyl ester
TL;DR: Heptafluorobutyric acid, cyclohexyl ester (CAS 904037-20-3) is a chemical compound with molecular formula C10H11F7O2 and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: cyclohexyl heptafluorobutanoate, Heptafluorobutyric acid, cyclohexyl ester, Heptafluorobutyric acid cyclohexyl ester, Cyclohexyl 2,2,3,3,4,4,4-heptafluorobutanoate, Cyclohexyl 2,2,3,3,4,4,4-heptafluorobutanoate #
| Molecular Formula | C10H11F7O2 |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06473 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 904037-20-3 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | LOUWBLWWEWSFAP-UHFFFAOYSA-N |
Product Overview
Heptafluorobutyric acid, cyclohexyl ester (CAS 904037-20-3), with molecular formula C10H11F7O2 and molecular weight 296.06 g/mol. IUPAC: cyclohexyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Heptafluorobutyric acid, cyclohexyl ester
Property Insights of Heptafluorobutyric acid, cyclohexyl ester
The XLogP value of 4.4 indicates that Heptafluorobutyric acid, cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptafluorobutyric acid, cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyric acid, cyclohexyl ester has 0 hydrogen bond donor(s) and 9 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 Heptafluorobutyric acid, cyclohexyl ester?
The CAS number of Heptafluorobutyric acid, cyclohexyl ester is 904037-20-3.
What is the molecular formula of Heptafluorobutyric acid, cyclohexyl ester?
The molecular formula of Heptafluorobutyric acid, cyclohexyl ester is C10H11F7O2.
What is the molecular weight of Heptafluorobutyric acid, cyclohexyl ester?
The molecular weight of Heptafluorobutyric acid, cyclohexyl ester is 296.06 g/mol.
Where can I buy Heptafluorobutyric acid, cyclohexyl ester?
You can request a quote for Heptafluorobutyric acid, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptafluorobutyric acid, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyric acid, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.