2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid
TL;DR: 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid (CAS 120153-11-9) is a chemical compound with molecular formula C15H20BFO4 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic acid
Also Known As: 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid, Benzoic acid, 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)-, A,11, A-epoxy-5, A-cholest-7-en-3
| Molecular Formula | C15H20BFO4 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 2.4624 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.14386 |
| Heavy Atoms | 21 |
| Complexity | 486.562 |
Chemical Identifiers
| CAS Number | 120153-11-9 |
|---|---|
| SMILES | B1(OCC(CO1)CCCCC)C2=CC(=C(C=C2)C(=O)O)F |
Product Overview
2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid (CAS 120153-11-9), with molecular formula C15H20BFO4 and molecular weight 294.14 g/mol. IUPAC: 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic acid.
Chemical Property Profile of 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid
Property Insights of 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid
The XLogP value of 2.4624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid has 1 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 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid?
The CAS number of 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid is 120153-11-9.
What is the molecular formula of 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid?
The molecular formula of 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid is C15H20BFO4.
What is the molecular weight of 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid?
The molecular weight of 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid is 294.14 g/mol.
Where can I buy 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid?
You can request a quote for 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-4-(5-pentyl-1,3,2-dioxaborinan-2-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.