![3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid structure](/static/products/1284/128437-99-0.webp)
3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid
TL;DR: 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid (CAS 128437-99-0) 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-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
Also Known As: 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid, <4-Benzyloxy-phenyl>-p-tolyl-acetonitril, 3-[4-(Benzyloxy)phenyl]-2-oxopropanoicacid, 2-Oxo-3-phenylpropionic acid, 4'-benzyloxy-, 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 128437-99-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)C(=O)O |
| InChIKey | MVSAOJIYSPMXBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid (CAS 128437-99-0), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid.
Chemical Property Profile of 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid
Property Insights of 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid has 1 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 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid?
The CAS number of 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid is 128437-99-0.
What is the molecular formula of 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid?
The molecular formula of 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid is C16H14O4.
What is the molecular weight of 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid?
The molecular weight of 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid is 270.09 g/mol.
Where can I buy 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid?
You can request a quote for 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic 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-(Benzyloxy)phenyl]-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Benzyloxy)phenyl]-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.