3-Methylphenyl pentafluoropropanoate
TL;DR: 3-Methylphenyl pentafluoropropanoate (CAS 24386-88-7) is a chemical compound with molecular formula C10H7F5O2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 2,2,3,3,3-pentafluoropropanoate
Also Known As: 3-methylphenyl pentafluoropropanoate, Pentafluoropropanoic acid, 3-methylphenyl ester, Pentafluoropropionic acid m-tolyl ester, (3-methylphenyl) 2,2,3,3,3-pentafluoropropanoate, Propionic acid, pentafluoro-, m-tolyl ester
| Molecular Formula | C10H7F5O2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03662 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 24386-88-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C(C(F)(F)F)(F)F |
| InChIKey | VCFKKISUOVMLFT-UHFFFAOYSA-N |
Product Overview
3-Methylphenyl pentafluoropropanoate (CAS 24386-88-7), with molecular formula C10H7F5O2 and molecular weight 254.04 g/mol. IUPAC: (3-methylphenyl) 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of 3-Methylphenyl pentafluoropropanoate
Property Insights of 3-Methylphenyl pentafluoropropanoate
The XLogP value of 3.9 indicates that 3-Methylphenyl pentafluoropropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylphenyl pentafluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl pentafluoropropanoate has 0 hydrogen bond donor(s) and 7 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 3-Methylphenyl pentafluoropropanoate?
The CAS number of 3-Methylphenyl pentafluoropropanoate is 24386-88-7.
What is the molecular formula of 3-Methylphenyl pentafluoropropanoate?
The molecular formula of 3-Methylphenyl pentafluoropropanoate is C10H7F5O2.
What is the molecular weight of 3-Methylphenyl pentafluoropropanoate?
The molecular weight of 3-Methylphenyl pentafluoropropanoate is 254.04 g/mol.
Where can I buy 3-Methylphenyl pentafluoropropanoate?
You can request a quote for 3-Methylphenyl pentafluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylphenyl pentafluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl pentafluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.