2-(1-Carboxy-2-phenylethyl)benzoic acid
TL;DR: 2-(1-Carboxy-2-phenylethyl)benzoic acid (CAS 2897-88-3) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-carboxy-2-phenylethyl)benzoic acid
Also Known As: benzylhomophthalic acid, alpha-(2-Carboxyphenyl)benzenepropanoic acid, 2-(1-carboxy-2-phenylethyl)benzoic acid, Benzenepropanoic acid, alpha-(2-carboxyphenyl)-, 3-09-00-04536 (Beilstein Handbook Reference)
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 2897-88-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C2=CC=CC=C2C(=O)O)C(=O)O |
| InChIKey | RYFBBLZNOYCNFY-UHFFFAOYSA-N |
Product Overview
2-(1-Carboxy-2-phenylethyl)benzoic acid (CAS 2897-88-3), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-(1-carboxy-2-phenylethyl)benzoic acid.
Chemical Property Profile of 2-(1-Carboxy-2-phenylethyl)benzoic acid
Property Insights of 2-(1-Carboxy-2-phenylethyl)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Carboxy-2-phenylethyl)benzoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Carboxy-2-phenylethyl)benzoic acid. Following Lipinski's Rule of Five, 2-(1-Carboxy-2-phenylethyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 2-(1-Carboxy-2-phenylethyl)benzoic acid?
The CAS number of 2-(1-Carboxy-2-phenylethyl)benzoic acid is 2897-88-3.
What is the molecular formula of 2-(1-Carboxy-2-phenylethyl)benzoic acid?
The molecular formula of 2-(1-Carboxy-2-phenylethyl)benzoic acid is C16H14O4.
What is the molecular weight of 2-(1-Carboxy-2-phenylethyl)benzoic acid?
The molecular weight of 2-(1-Carboxy-2-phenylethyl)benzoic acid is 270.09 g/mol.
Where can I buy 2-(1-Carboxy-2-phenylethyl)benzoic acid?
You can request a quote for 2-(1-Carboxy-2-phenylethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Carboxy-2-phenylethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Carboxy-2-phenylethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.