五氟苯甲酸苄酯
TL;DR: 五氟苯甲酸苄酯 (CAS 104856-46-4) is a chemical compound with molecular formula C14H7F5O2 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氟苯甲酸苄酯
benzyl 2,3,4,5,6-pentafluorobenzoate
Also Known As: benzyl pentafluorobenzoate, Pentafluorobenzoic acid, benzyl ester, Benzyl 2,3,4,5,6-pentafluorobenzoate, 2,3,4,5,6-Pentafluorobenzoic acid benzyl ester, Benzoic acid, pentafluoro-, phenylmethyl ester
| Molecular Formula | C14H7F5O2 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.03662 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 104856-46-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | WLPUFAZAMBXLPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五氟苯甲酸苄酯 (CAS 104856-46-4), with molecular formula C14H7F5O2 and molecular weight 302.04 g/mol. IUPAC: benzyl 2,3,4,5,6-pentafluorobenzoate.
Chemical Property Profile of 五氟苯甲酸苄酯
Property Insights of 五氟苯甲酸苄酯
The XLogP value of 3.8 indicates that 五氟苯甲酸苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 五氟苯甲酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氟苯甲酸苄酯 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 五氟苯甲酸苄酯?
The CAS number of 五氟苯甲酸苄酯 is 104856-46-4.
What is the molecular formula of 五氟苯甲酸苄酯?
The molecular formula of 五氟苯甲酸苄酯 is C14H7F5O2.
What is the molecular weight of 五氟苯甲酸苄酯?
The molecular weight of 五氟苯甲酸苄酯 is 302.04 g/mol.
Where can I buy 五氟苯甲酸苄酯?
You can request a quote for 五氟苯甲酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氟苯甲酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 五氟苯甲酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.