3-phenethylpentanedioic Acid
TL;DR: 3-phenethylpentanedioic Acid (CAS 71280-32-5) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethyl)pentanedioic acid
Also Known As: 3-phenethylpentanedioic Acid, 3-(2-phenylethyl)pentanedioic acid, AB00114167-01
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.1848 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 356.26566 |
Chemical Identifiers
| CAS Number | 71280-32-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(CC(=O)O)CC(=O)O |
Product Overview
3-phenethylpentanedioic Acid (CAS 71280-32-5), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 3-(2-phenylethyl)pentanedioic acid.
Chemical Property Profile of 3-phenethylpentanedioic Acid
Property Insights of 3-phenethylpentanedioic Acid
The XLogP value of 2.1848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenethylpentanedioic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenethylpentanedioic Acid. Following Lipinski's Rule of Five, 3-phenethylpentanedioic 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-phenethylpentanedioic Acid?
The CAS number of 3-phenethylpentanedioic Acid is 71280-32-5.
What is the molecular formula of 3-phenethylpentanedioic Acid?
The molecular formula of 3-phenethylpentanedioic Acid is C13H16O4.
What is the molecular weight of 3-phenethylpentanedioic Acid?
The molecular weight of 3-phenethylpentanedioic Acid is 236.10 g/mol.
Where can I buy 3-phenethylpentanedioic Acid?
You can request a quote for 3-phenethylpentanedioic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenethylpentanedioic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-phenethylpentanedioic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.