4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate
TL;DR: 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate (CAS 5363-79-1) is a chemical compound with molecular formula C13H13F5O3 and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5,5-pentafluoropentyl 4-methoxybenzoate
Also Known As: 4,4,5,5,5-pentafluoropentyl 4-methoxybenzoate, AB00083081-01
| Molecular Formula | C13H13F5O3 |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.8298 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.0785 |
| Heavy Atoms | 21 |
| Complexity | 467.69022 |
Chemical Identifiers
| CAS Number | 5363-79-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCCCC(C(F)(F)F)(F)F |
Product Overview
4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate (CAS 5363-79-1), with molecular formula C13H13F5O3 and molecular weight 312.08 g/mol. IUPAC: 4,4,5,5,5-pentafluoropentyl 4-methoxybenzoate.
Chemical Property Profile of 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate
Property Insights of 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate
The XLogP value of 3.8298 indicates that 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate?
The CAS number of 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate is 5363-79-1.
What is the molecular formula of 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate?
The molecular formula of 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate is C13H13F5O3.
What is the molecular weight of 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate?
The molecular weight of 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate is 312.08 g/mol.
Where can I buy 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate?
You can request a quote for 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4,4,5,5,5-Pentafluoropentyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.