Phthalic acid, allyl ethyl ester
TL;DR: Phthalic acid, allyl ethyl ester (CAS 33672-94-5) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
Also Known As: Ethylallylphthalat, Ethylallylphthalate, Phthalicacid,allylethylester, Phthalic acid, allyl ethyl ester, 1-Allyl 2-ethyl phthalate #
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 33672-94-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)OCC=C |
| InChIKey | UPBGNLFFUITRLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalic acid, allyl ethyl ester (CAS 33672-94-5), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 1-O-ethyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Phthalic acid, allyl ethyl ester
Property Insights of Phthalic acid, allyl ethyl ester
The XLogP value of 3.0 indicates that Phthalic acid, allyl ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Phthalic acid, allyl ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalic acid, allyl ethyl 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 Phthalic acid, allyl ethyl ester?
The CAS number of Phthalic acid, allyl ethyl ester is 33672-94-5.
What is the molecular formula of Phthalic acid, allyl ethyl ester?
The molecular formula of Phthalic acid, allyl ethyl ester is C13H14O4.
What is the molecular weight of Phthalic acid, allyl ethyl ester?
The molecular weight of Phthalic acid, allyl ethyl ester is 234.09 g/mol.
Where can I buy Phthalic acid, allyl ethyl ester?
You can request a quote for Phthalic acid, allyl ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalic acid, allyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, allyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.