Methyl 3-(3,4,5-trimethoxyphenyl)propanoate
TL;DR: Methyl 3-(3,4,5-trimethoxyphenyl)propanoate (CAS 53560-25-1) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4,5-trimethoxyphenyl)propanoate
Also Known As: methyl 3-(3,4,5-trimethoxyphenyl)propanoate, J1.741.943I, methyl 3-(3,4,5-trimethoxyphenyl)-propanoate, Methyl 3-(3,4,5-trimethoxyphenyl)propanoic acid, Propanoic acid, 3-(3,4,5-trimethoxyphenyl), methyl ester
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.818 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 388.8378 |
Chemical Identifiers
| CAS Number | 53560-25-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CCC(=O)OC |
Product Overview
Methyl 3-(3,4,5-trimethoxyphenyl)propanoate (CAS 53560-25-1), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: methyl 3-(3,4,5-trimethoxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-(3,4,5-trimethoxyphenyl)propanoate
Property Insights of Methyl 3-(3,4,5-trimethoxyphenyl)propanoate
The XLogP value of 1.818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3,4,5-trimethoxyphenyl)propanoate. With a topological polar surface area (TPSA) of 53.99 Ų, Methyl 3-(3,4,5-trimethoxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3,4,5-trimethoxyphenyl)propanoate has 0 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 Methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The CAS number of Methyl 3-(3,4,5-trimethoxyphenyl)propanoate is 53560-25-1.
What is the molecular formula of Methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The molecular formula of Methyl 3-(3,4,5-trimethoxyphenyl)propanoate is C13H18O5.
What is the molecular weight of Methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The molecular weight of Methyl 3-(3,4,5-trimethoxyphenyl)propanoate is 254.12 g/mol.
Where can I buy Methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
You can request a quote for Methyl 3-(3,4,5-trimethoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3,4,5-trimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.