Hexanoic acid, 3,3-difluoroallyl ester
TL;DR: Hexanoic acid, 3,3-difluoroallyl ester (CAS 3792-85-6) is a chemical compound with molecular formula C9H14F2O2 and molecular weight 192.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-difluoroprop-2-enyl hexanoate
Also Known As: 3,3-difluoroallyl hexanoate, 3,3-Difluoro-2-propenyl hexanoate, Hexanoicacid3,3-difluoroallylester, 3,3-difluoroprop-2-enyl hexanoate, Hexanoic acid, 3,3-difluoroallyl ester
| Molecular Formula | C9H14F2O2 |
|---|---|
| Molecular Weight | 192.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 192.09619 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 3792-85-6 |
|---|---|
| SMILES | CCCCCC(=O)OCC=C(F)F |
| InChIKey | BFVCKSKTEVBFPX-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 3,3-difluoroallyl ester (CAS 3792-85-6), with molecular formula C9H14F2O2 and molecular weight 192.10 g/mol. IUPAC: 3,3-difluoroprop-2-enyl hexanoate.
Chemical Property Profile of Hexanoic acid, 3,3-difluoroallyl ester
Property Insights of Hexanoic acid, 3,3-difluoroallyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 3,3-difluoroallyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 3,3-difluoroallyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 3,3-difluoroallyl ester has 0 hydrogen bond donor(s) and 4 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 Hexanoic acid, 3,3-difluoroallyl ester?
The CAS number of Hexanoic acid, 3,3-difluoroallyl ester is 3792-85-6.
What is the molecular formula of Hexanoic acid, 3,3-difluoroallyl ester?
The molecular formula of Hexanoic acid, 3,3-difluoroallyl ester is C9H14F2O2.
What is the molecular weight of Hexanoic acid, 3,3-difluoroallyl ester?
The molecular weight of Hexanoic acid, 3,3-difluoroallyl ester is 192.10 g/mol.
Where can I buy Hexanoic acid, 3,3-difluoroallyl ester?
You can request a quote for Hexanoic acid, 3,3-difluoroallyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 3,3-difluoroallyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 3,3-difluoroallyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.