Butyl ethenyl benzene-1,2-dicarboxylate
TL;DR: Butyl ethenyl benzene-1,2-dicarboxylate (CAS 1038-81-9) 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.
1-O-butyl 2-O-ethenyl benzene-1,2-dicarboxylate
Also Known As: butyl ethenyl benzene-1,2-dicarboxylate, 1-O-butyl 2-O-ethenyl benzene-1,2-dicarboxylate
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 1038-81-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OC=C |
| InChIKey | RPSHZLYXGHIQDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl ethenyl benzene-1,2-dicarboxylate (CAS 1038-81-9), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 1-O-butyl 2-O-ethenyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Butyl ethenyl benzene-1,2-dicarboxylate
Property Insights of Butyl ethenyl benzene-1,2-dicarboxylate
The XLogP value of 4.0 indicates that Butyl ethenyl benzene-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butyl ethenyl benzene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl ethenyl benzene-1,2-dicarboxylate 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 Butyl ethenyl benzene-1,2-dicarboxylate?
The CAS number of Butyl ethenyl benzene-1,2-dicarboxylate is 1038-81-9.
What is the molecular formula of Butyl ethenyl benzene-1,2-dicarboxylate?
The molecular formula of Butyl ethenyl benzene-1,2-dicarboxylate is C14H16O4.
What is the molecular weight of Butyl ethenyl benzene-1,2-dicarboxylate?
The molecular weight of Butyl ethenyl benzene-1,2-dicarboxylate is 248.10 g/mol.
Where can I buy Butyl ethenyl benzene-1,2-dicarboxylate?
You can request a quote for Butyl ethenyl benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl ethenyl benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl ethenyl benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.