![7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate structure](/static/products/641/64129-26-6.png)
7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate
TL;DR: 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate (CAS 64129-26-6) is a chemical compound with molecular formula C16H17F3O3 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7,7-dimethyl-10-oxo-5,6,8,9-tetrahydrobenzo[8]annulen-5-yl) 2,2,2-trifluoroacetate
Also Known As: 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate, Acetic acid, trifluoro-, 5,6,7,8,9,10-hexahydro-7,7-dimethyl-10-oxo-5-benzocyclooctenyl ester, (7,7-dimethyl-10-oxo-5,6,8,9-tetrahydrobenzo[8]annulen-5-yl) 2,2,2-trifluoroacetate, 7,7-dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-yl 2,2,2-trifluoroacetate, 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate #
| Molecular Formula | C16H17F3O3 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.11298 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 64129-26-6 |
|---|---|
| SMILES | CC1(CCC(=O)C2=CC=CC=C2C(C1)OC(=O)C(F)(F)F)C |
| InChIKey | VBRSVWXPHYYCAM-UHFFFAOYSA-N |
Product Overview
7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate (CAS 64129-26-6), with molecular formula C16H17F3O3 and molecular weight 314.11 g/mol. IUPAC: (7,7-dimethyl-10-oxo-5,6,8,9-tetrahydrobenzo[8]annulen-5-yl) 2,2,2-trifluoroacetate.
Chemical Property Profile of 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate
Property Insights of 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate
The XLogP value of 4.1 indicates that 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate has 0 hydrogen bond donor(s) and 6 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 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate?
The CAS number of 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate is 64129-26-6.
What is the molecular formula of 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate?
The molecular formula of 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate is C16H17F3O3.
What is the molecular weight of 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate?
The molecular weight of 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate is 314.11 g/mol.
Where can I buy 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate?
You can request a quote for 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 7,7-Dimethyl-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-5-yl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.