1,5-Hexanedione, 1-(p-fluorophenyl)-
TL;DR: 1,5-Hexanedione, 1-(p-fluorophenyl)- (CAS 29229-59-2) is a chemical compound with molecular formula C12H13FO2 and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)hexane-1,5-dione
Also Known As: 1-(p-Fluorophenyl)-1,5-hexanedione, 1-(4-fluorophenyl)hexane-1,5-dione, 1,5-HEXANEDIONE, 1-(p-FLUOROPHENYL)-, 1-p-Fluorphenylhexan-1,5-dion, BRN 2580560
| Molecular Formula | C12H13FO2 |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.08995 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 29229-59-2 |
|---|---|
| SMILES | CC(=O)CCCC(=O)C1=CC=C(C=C1)F |
| InChIKey | BPCPUXWYSQVODK-UHFFFAOYSA-N |
Product Overview
1,5-Hexanedione, 1-(p-fluorophenyl)- (CAS 29229-59-2), with molecular formula C12H13FO2 and molecular weight 208.09 g/mol. IUPAC: 1-(4-fluorophenyl)hexane-1,5-dione.
Chemical Property Profile of 1,5-Hexanedione, 1-(p-fluorophenyl)-
Property Insights of 1,5-Hexanedione, 1-(p-fluorophenyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Hexanedione, 1-(p-fluorophenyl)-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,5-Hexanedione, 1-(p-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Hexanedione, 1-(p-fluorophenyl)- has 0 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 1,5-Hexanedione, 1-(p-fluorophenyl)-?
The CAS number of 1,5-Hexanedione, 1-(p-fluorophenyl)- is 29229-59-2.
What is the molecular formula of 1,5-Hexanedione, 1-(p-fluorophenyl)-?
The molecular formula of 1,5-Hexanedione, 1-(p-fluorophenyl)- is C12H13FO2.
What is the molecular weight of 1,5-Hexanedione, 1-(p-fluorophenyl)-?
The molecular weight of 1,5-Hexanedione, 1-(p-fluorophenyl)- is 208.09 g/mol.
Where can I buy 1,5-Hexanedione, 1-(p-fluorophenyl)-?
You can request a quote for 1,5-Hexanedione, 1-(p-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Hexanedione, 1-(p-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Hexanedione, 1-(p-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.