![3-[4-(Trifluoromethyl)phenyl]pentanedioic acid structure](/static/products/848/848611-89-2.png)
3-[4-(Trifluoromethyl)phenyl]pentanedioic acid
TL;DR: 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid (CAS 848611-89-2) is a chemical compound with molecular formula C12H11F3O4 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(trifluoromethyl)phenyl]pentanedioic acid
Also Known As: 3-[4-(trifluoromethyl)phenyl]pentanedioic acid, Maybridge1_005483, DivK1c_001771, CDS1_000731, PD 00506
| Molecular Formula | C12H11F3O4 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 2.7384 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.06094 |
| Heavy Atoms | 19 |
| Complexity | 448.858 |
Chemical Identifiers
| CAS Number | 848611-89-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)C(F)(F)F |
Product Overview
3-[4-(Trifluoromethyl)phenyl]pentanedioic acid (CAS 848611-89-2), with molecular formula C12H11F3O4 and molecular weight 276.06 g/mol. IUPAC: 3-[4-(trifluoromethyl)phenyl]pentanedioic acid.
Chemical Property Profile of 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid
Property Insights of 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid
The XLogP value of 2.7384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid. Following Lipinski's Rule of Five, 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid has 2 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-[4-(Trifluoromethyl)phenyl]pentanedioic acid?
The CAS number of 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid is 848611-89-2.
What is the molecular formula of 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid?
The molecular formula of 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid is C12H11F3O4.
What is the molecular weight of 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid?
The molecular weight of 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid is 276.06 g/mol.
Where can I buy 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid?
You can request a quote for 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Trifluoromethyl)phenyl]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.