![3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid structure](/static/products/5164/5164-91-0.webp)
3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid
TL;DR: 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid (CAS 5164-91-0) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid
Also Known As: 3-[3-(benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid, 3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid, 3-(4-methoxy-3-phenylmethoxy-phenyl)-2-oxo-propanoic acid
| Molecular Formula | C17H16O5 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.09976 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 5164-91-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)C(=O)O)OCC2=CC=CC=C2 |
| InChIKey | GMFXKTPSYBSNQM-UHFFFAOYSA-N |
Product Overview
3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid (CAS 5164-91-0), with molecular formula C17H16O5 and molecular weight 300.10 g/mol. IUPAC: 3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopropanoic acid.
Chemical Property Profile of 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid
Property Insights of 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid has 1 hydrogen bond donor(s) and 5 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-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid?
The CAS number of 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid is 5164-91-0.
What is the molecular formula of 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid?
The molecular formula of 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid is C17H16O5.
What is the molecular weight of 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid?
The molecular weight of 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid is 300.10 g/mol.
Where can I buy 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid?
You can request a quote for 3-[3-(Benzyloxy)-4-methoxyphenyl]-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-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(Benzyloxy)-4-methoxyphenyl]-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.