![dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate structure](/static/products/119/119793-72-5.png)
dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate
TL;DR: dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate (CAS 119793-72-5) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate
Also Known As: Dimethyl 2-cinnamylpropanedioate, Cinnamylmalonic acid dimethyl ester, 2-Cinnamylmalonic acid dimethyl ester, 3-Phenylallylmalonic acid dimethyl ester, (3-Phenylallyl)malonic acid dimethyl ester
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.0521 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 406.67996 |
Chemical Identifiers
| CAS Number | 119793-72-5 |
|---|---|
| SMILES | COC(=O)C(C/C=C/C1=CC=CC=C1)C(=O)OC |
Product Overview
dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate (CAS 119793-72-5), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate.
Chemical Property Profile of dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate
Property Insights of dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate
The XLogP value of 2.0521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate 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 dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate?
The CAS number of dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate is 119793-72-5.
What is the molecular formula of dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate?
The molecular formula of dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate is C14H16O4.
What is the molecular weight of dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate?
The molecular weight of dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate is 248.10 g/mol.
Where can I buy dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate?
You can request a quote for dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-[(E)-3-phenylprop-2-enyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.