2-Methylbenzyl alcohol, trifluoroacetate
TL;DR: 2-Methylbenzyl alcohol, trifluoroacetate (CAS 84658-08-2) is a chemical compound with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl)methyl 2,2,2-trifluoroacetate
Also Known As: o-methylbenzyl trifluoroacetate, 2-Methylbenzyl alcohol, trifluoroacetate, Trifluoro-acetic acid 2-methyl-benzyl ester, (2-methylphenyl)methyl 2,2,2-trifluoroacetate
| Molecular Formula | C10H9F3O2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.60052 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05547 |
| Heavy Atoms | 15 |
| Complexity | 357.9303 |
Chemical Identifiers
| CAS Number | 84658-08-2 |
|---|---|
| SMILES | CC1=CC=CC=C1COC(=O)C(F)(F)F |
Product Overview
2-Methylbenzyl alcohol, trifluoroacetate (CAS 84658-08-2), with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol. IUPAC: (2-methylphenyl)methyl 2,2,2-trifluoroacetate.
Chemical Property Profile of 2-Methylbenzyl alcohol, trifluoroacetate
Property Insights of 2-Methylbenzyl alcohol, trifluoroacetate
The XLogP value of 2.60052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzyl alcohol, trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylbenzyl alcohol, trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzyl alcohol, trifluoroacetate has 0 hydrogen bond donor(s) and 2 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 2-Methylbenzyl alcohol, trifluoroacetate?
The CAS number of 2-Methylbenzyl alcohol, trifluoroacetate is 84658-08-2.
What is the molecular formula of 2-Methylbenzyl alcohol, trifluoroacetate?
The molecular formula of 2-Methylbenzyl alcohol, trifluoroacetate is C10H9F3O2.
What is the molecular weight of 2-Methylbenzyl alcohol, trifluoroacetate?
The molecular weight of 2-Methylbenzyl alcohol, trifluoroacetate is 218.06 g/mol.
Where can I buy 2-Methylbenzyl alcohol, trifluoroacetate?
You can request a quote for 2-Methylbenzyl alcohol, trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzyl alcohol, trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzyl alcohol, trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.