5-(3,4-Difluorophenyl)-5-oxovaleric acid
TL;DR: 5-(3,4-Difluorophenyl)-5-oxovaleric acid (CAS 845790-46-7) is a chemical compound with molecular formula C11H10F2O3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-difluorophenyl)-5-oxopentanoic acid
Also Known As: 5-(3,4-Difluorophenyl)-5-oxovaleric acid, 5-(3,4-difluorophenyl)-5-oxopentanoic acid, 5- -5-OXOVALERICACID, 5-(3,4-difluorophenyl)-5-oxo-pentanoic Acid, 5-(3,4-Difluorophenyl)-5-oxovalericacid
| Molecular Formula | C11H10F2O3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.4024 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.0598 |
| Heavy Atoms | 16 |
| Complexity | 415.69073 |
Chemical Identifiers
| CAS Number | 845790-46-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CCCC(=O)O)F)F |
Product Overview
5-(3,4-Difluorophenyl)-5-oxovaleric acid (CAS 845790-46-7), with molecular formula C11H10F2O3 and molecular weight 228.06 g/mol. IUPAC: 5-(3,4-difluorophenyl)-5-oxopentanoic acid.
Chemical Property Profile of 5-(3,4-Difluorophenyl)-5-oxovaleric acid
Property Insights of 5-(3,4-Difluorophenyl)-5-oxovaleric acid
The XLogP value of 2.4024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Difluorophenyl)-5-oxovaleric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-(3,4-Difluorophenyl)-5-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Difluorophenyl)-5-oxovaleric acid has 1 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 5-(3,4-Difluorophenyl)-5-oxovaleric acid?
The CAS number of 5-(3,4-Difluorophenyl)-5-oxovaleric acid is 845790-46-7.
What is the molecular formula of 5-(3,4-Difluorophenyl)-5-oxovaleric acid?
The molecular formula of 5-(3,4-Difluorophenyl)-5-oxovaleric acid is C11H10F2O3.
What is the molecular weight of 5-(3,4-Difluorophenyl)-5-oxovaleric acid?
The molecular weight of 5-(3,4-Difluorophenyl)-5-oxovaleric acid is 228.06 g/mol.
Where can I buy 5-(3,4-Difluorophenyl)-5-oxovaleric acid?
You can request a quote for 5-(3,4-Difluorophenyl)-5-oxovaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Difluorophenyl)-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Difluorophenyl)-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.