3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione
TL;DR: 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione (CAS 175136-74-0) is a chemical compound with molecular formula C12H12ClFO2 and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
Also Known As: 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione, 3-[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione, 3-(2-chloro-6-fluorobenzyl)-2,4-pentanedione, J1.079.638E, 3-[(2-chloro-6-fluoro-phenyl)methyl]pentane-2,4-dione
| Molecular Formula | C12H12ClFO2 |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 2.8158 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.05098 |
| Heavy Atoms | 16 |
| Complexity | 394.77698 |
Chemical Identifiers
| CAS Number | 175136-74-0 |
|---|---|
| SMILES | CC(=O)C(CC1=C(C=CC=C1Cl)F)C(=O)C |
Product Overview
3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione (CAS 175136-74-0), with molecular formula C12H12ClFO2 and molecular weight 242.05 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione.
Chemical Property Profile of 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione
Property Insights of 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione
The XLogP value of 2.8158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione 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-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione?
The CAS number of 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione is 175136-74-0.
What is the molecular formula of 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione?
The molecular formula of 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione is C12H12ClFO2.
What is the molecular weight of 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione?
The molecular weight of 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione is 242.05 g/mol.
Where can I buy 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione?
You can request a quote for 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6-fluorobenzyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.