3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester
TL;DR: 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester (CAS 16209-54-4) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-methoxy-4-phenylmethoxyphenyl)acetate
Also Known As: 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester, methyl 4-benzyloxy-3-methoxyphenylethanoate, methyl [4-(benzyloxy)-3-methoxyphenyl]acetate, methyl 2-(3-methoxy-4-phenylmethoxyphenyl)acetate
| Molecular Formula | C17H18O4 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.1205 |
| Heavy Atoms | 21 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 16209-54-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC(=O)OC)OCC2=CC=CC=C2 |
| InChIKey | LRUAKAWBLZSQMZ-UHFFFAOYSA-N |
Product Overview
3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester (CAS 16209-54-4), with molecular formula C17H18O4 and molecular weight 286.12 g/mol. IUPAC: methyl 2-(3-methoxy-4-phenylmethoxyphenyl)acetate.
Chemical Property Profile of 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester
Property Insights of 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester has 0 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-Methoxy-4-benzyloxyphenylacetic acid, methyl ester?
The CAS number of 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester is 16209-54-4.
What is the molecular formula of 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester?
The molecular formula of 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester is C17H18O4.
What is the molecular weight of 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester?
The molecular weight of 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester is 286.12 g/mol.
Where can I buy 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester?
You can request a quote for 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-benzyloxyphenylacetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.