3,5-双三氟甲基苯硼酸
TL;DR: 3,5-双三氟甲基苯硼酸 (CAS 73852-19-4) is a chemical compound with molecular formula C8H5BF6O2 and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-双三氟甲基苯硼酸
[3,5-bis(trifluoromethyl)phenyl]boronic acid
Also Known As: 3,5-Bis(trifluoromethyl)phenylboronic acid, Btfpba, (3,5-Bis(trifluoromethyl)phenyl)boronic acid, 3,5-Bis(trifluoromethyl)benzeneboronic Acid, [3,5-bis(trifluoromethyl)phenyl]boronic acid
| Molecular Formula | C8H5BF6O2 |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 1.404 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0287 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 73852-19-4 |
|---|---|
| SMILES | B(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O |
| InChIKey | BPTABBGLHGBJQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-双三氟甲基苯硼酸 (CAS 73852-19-4), with molecular formula C8H5BF6O2 and molecular weight 258.03 g/mol. IUPAC: [3,5-bis(trifluoromethyl)phenyl]boronic acid.
Chemical Property Profile of 3,5-双三氟甲基苯硼酸
Property Insights of 3,5-双三氟甲基苯硼酸
The XLogP value of 1.404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-双三氟甲基苯硼酸. With a topological polar surface area (TPSA) of 40.5 Ų, 3,5-双三氟甲基苯硼酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-双三氟甲基苯硼酸 has 2 hydrogen bond donor(s) and 8 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 3,5-双三氟甲基苯硼酸?
The CAS number of 3,5-双三氟甲基苯硼酸 is 73852-19-4.
What is the molecular formula of 3,5-双三氟甲基苯硼酸?
The molecular formula of 3,5-双三氟甲基苯硼酸 is C8H5BF6O2.
What is the molecular weight of 3,5-双三氟甲基苯硼酸?
The molecular weight of 3,5-双三氟甲基苯硼酸 is 258.03 g/mol.
Where can I buy 3,5-双三氟甲基苯硼酸?
You can request a quote for 3,5-双三氟甲基苯硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-双三氟甲基苯硼酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-双三氟甲基苯硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.