4-Chlorobenzyl alcohol, pentafluoropropionate
TL;DR: 4-Chlorobenzyl alcohol, pentafluoropropionate (CAS 958997-71-2) is a chemical compound with molecular formula C10H6ClF5O2 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
Also Known As: 4-chlorobenzyl pentafluoropropanoate, (4aChlorophenyl)methyl perfluoropropanoate, 4-Chlorobenzyl alcohol, pentafluoropropionate, Pentafluoropropionic acid, 4-chlorobenzyl ester, (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
| Molecular Formula | C10H6ClF5O2 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.99765 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 958997-71-2 |
|---|---|
| SMILES | C1=CC(=CC=C1COC(=O)C(C(F)(F)F)(F)F)Cl |
| InChIKey | YNOUQZHJUWTECY-UHFFFAOYSA-N |
Product Overview
4-Chlorobenzyl alcohol, pentafluoropropionate (CAS 958997-71-2), with molecular formula C10H6ClF5O2 and molecular weight 288.00 g/mol. IUPAC: (4-chlorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate.
Chemical Property Profile of 4-Chlorobenzyl alcohol, pentafluoropropionate
Property Insights of 4-Chlorobenzyl alcohol, pentafluoropropionate
The XLogP value of 4.0 indicates that 4-Chlorobenzyl alcohol, pentafluoropropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chlorobenzyl alcohol, pentafluoropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl alcohol, pentafluoropropionate 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 4-Chlorobenzyl alcohol, pentafluoropropionate?
The CAS number of 4-Chlorobenzyl alcohol, pentafluoropropionate is 958997-71-2.
What is the molecular formula of 4-Chlorobenzyl alcohol, pentafluoropropionate?
The molecular formula of 4-Chlorobenzyl alcohol, pentafluoropropionate is C10H6ClF5O2.
What is the molecular weight of 4-Chlorobenzyl alcohol, pentafluoropropionate?
The molecular weight of 4-Chlorobenzyl alcohol, pentafluoropropionate is 288.00 g/mol.
Where can I buy 4-Chlorobenzyl alcohol, pentafluoropropionate?
You can request a quote for 4-Chlorobenzyl alcohol, pentafluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl alcohol, pentafluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl alcohol, pentafluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.