3,3-Bis(3-fluorobenzyl)-2,4-pentanedione
TL;DR: 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione (CAS 477847-91-9) is a chemical compound with molecular formula C19H18F2O2 and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis[(3-fluorophenyl)methyl]pentane-2,4-dione
Also Known As: 3,3-bis(3-fluorobenzyl)-2,4-pentanedione, 3,3-bis[(3-fluorophenyl)methyl]pentane-2,4-dione
| Molecular Formula | C19H18F2O2 |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 3.9144 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.12747 |
| Heavy Atoms | 23 |
| Complexity | 674.1544 |
Chemical Identifiers
| CAS Number | 477847-91-9 |
|---|---|
| SMILES | CC(=O)C(CC1=CC(=CC=C1)F)(CC2=CC(=CC=C2)F)C(=O)C |
Product Overview
3,3-Bis(3-fluorobenzyl)-2,4-pentanedione (CAS 477847-91-9), with molecular formula C19H18F2O2 and molecular weight 316.13 g/mol. IUPAC: 3,3-bis[(3-fluorophenyl)methyl]pentane-2,4-dione.
Chemical Property Profile of 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione
Property Insights of 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione
The XLogP value of 3.9144 indicates that 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione has 0 hydrogen bond donor(s) and 2 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 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione?
The CAS number of 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione is 477847-91-9.
What is the molecular formula of 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione?
The molecular formula of 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione is C19H18F2O2.
What is the molecular weight of 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione?
The molecular weight of 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione is 316.13 g/mol.
Where can I buy 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione?
You can request a quote for 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(3-fluorobenzyl)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.