3-(Benzyloxy)-trans-cinnamic acid methyl ester
TL;DR: 3-(Benzyloxy)-trans-cinnamic acid methyl ester (CAS 129649-12-3) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(3-phenylmethoxyphenyl)prop-2-enoate
Also Known As: 3-(Benzyloxy)-trans-cinnamic acid methyl ester, Methyl (E)-3-(3-(benzyloxy)phenyl)acrylate, Methyl (E)-3-(3-phenylmethoxyphenyl)prop-2-enoate, METHYL (2E)-3-[3-(BENZYLOXY)PHENYL]PROP-2-ENOATE, J2.765.688I
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.4518 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 588.1939 |
Chemical Identifiers
| CAS Number | 129649-12-3 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC(=CC=C1)OCC2=CC=CC=C2 |
Product Overview
3-(Benzyloxy)-trans-cinnamic acid methyl ester (CAS 129649-12-3), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: methyl (E)-3-(3-phenylmethoxyphenyl)prop-2-enoate.
Chemical Property Profile of 3-(Benzyloxy)-trans-cinnamic acid methyl ester
Property Insights of 3-(Benzyloxy)-trans-cinnamic acid methyl ester
The XLogP value of 3.4518 indicates that 3-(Benzyloxy)-trans-cinnamic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3-(Benzyloxy)-trans-cinnamic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)-trans-cinnamic acid methyl ester has 0 hydrogen bond donor(s) and 3 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-(Benzyloxy)-trans-cinnamic acid methyl ester?
The CAS number of 3-(Benzyloxy)-trans-cinnamic acid methyl ester is 129649-12-3.
What is the molecular formula of 3-(Benzyloxy)-trans-cinnamic acid methyl ester?
The molecular formula of 3-(Benzyloxy)-trans-cinnamic acid methyl ester is C17H16O3.
What is the molecular weight of 3-(Benzyloxy)-trans-cinnamic acid methyl ester?
The molecular weight of 3-(Benzyloxy)-trans-cinnamic acid methyl ester is 268.11 g/mol.
Where can I buy 3-(Benzyloxy)-trans-cinnamic acid methyl ester?
You can request a quote for 3-(Benzyloxy)-trans-cinnamic 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-(Benzyloxy)-trans-cinnamic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)-trans-cinnamic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.