Acetic acid, trifluoro-, 3,7-dimethyloctyl ester
TL;DR: Acetic acid, trifluoro-, 3,7-dimethyloctyl ester (CAS 28745-07-5) is a chemical compound with molecular formula C12H21F3O2 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloctyl 2,2,2-trifluoroacetate
Also Known As: Trifluoroacetyl-3,7-dimethyloctanol, 3,7-Dimethyloctyl trifluoroacetate #, 3,7-dimethyloctyl 2,2,2-trifluoroacetate, Acetic acid, trifluoro-, 3,7-dimethyloctyl ester, Trifluoroacetic acid 3,7-dimethyloctyl ester
| Molecular Formula | C12H21F3O2 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 254.14937 |
| Heavy Atoms | 17 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 28745-07-5 |
|---|---|
| SMILES | CC(C)CCCC(C)CCOC(=O)C(F)(F)F |
| InChIKey | QBDOCEIJXBWDMD-UHFFFAOYSA-N |
Product Overview
Acetic acid, trifluoro-, 3,7-dimethyloctyl ester (CAS 28745-07-5), with molecular formula C12H21F3O2 and molecular weight 254.15 g/mol. IUPAC: 3,7-dimethyloctyl 2,2,2-trifluoroacetate.
Chemical Property Profile of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester
Property Insights of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester
The XLogP value of 5.3 indicates that Acetic acid, trifluoro-, 3,7-dimethyloctyl 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, Acetic acid, trifluoro-, 3,7-dimethyloctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, trifluoro-, 3,7-dimethyloctyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester?
The CAS number of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester is 28745-07-5.
What is the molecular formula of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester?
The molecular formula of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester is C12H21F3O2.
What is the molecular weight of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester?
The molecular weight of Acetic acid, trifluoro-, 3,7-dimethyloctyl ester is 254.15 g/mol.
Where can I buy Acetic acid, trifluoro-, 3,7-dimethyloctyl ester?
You can request a quote for Acetic acid, trifluoro-, 3,7-dimethyloctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trifluoro-, 3,7-dimethyloctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trifluoro-, 3,7-dimethyloctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.