Bis(prop-2-enyl) but-2-ynedioate
TL;DR: Bis(prop-2-enyl) but-2-ynedioate (CAS 14447-07-5) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) but-2-ynedioate
Also Known As: bis(prop-2-enyl) but-2-ynedioate, Diallyl 2-butynedioate #, 2-Butynedioic acid diallyl ester, Acetylenedicarboxylic acid, diallyl ester, 2-Butynedioic acid, di-2-propenyl ester
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 14447-07-5 |
|---|---|
| SMILES | C=CCOC(=O)C#CC(=O)OCC=C |
| InChIKey | UZKKDEAYCFAVIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(prop-2-enyl) but-2-ynedioate (CAS 14447-07-5), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: bis(prop-2-enyl) but-2-ynedioate.
Chemical Property Profile of Bis(prop-2-enyl) but-2-ynedioate
Property Insights of Bis(prop-2-enyl) but-2-ynedioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(prop-2-enyl) but-2-ynedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(prop-2-enyl) but-2-ynedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(prop-2-enyl) but-2-ynedioate 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 Bis(prop-2-enyl) but-2-ynedioate?
The CAS number of Bis(prop-2-enyl) but-2-ynedioate is 14447-07-5.
What is the molecular formula of Bis(prop-2-enyl) but-2-ynedioate?
The molecular formula of Bis(prop-2-enyl) but-2-ynedioate is C10H10O4.
What is the molecular weight of Bis(prop-2-enyl) but-2-ynedioate?
The molecular weight of Bis(prop-2-enyl) but-2-ynedioate is 194.06 g/mol.
Where can I buy Bis(prop-2-enyl) but-2-ynedioate?
You can request a quote for Bis(prop-2-enyl) but-2-ynedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(prop-2-enyl) but-2-ynedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(prop-2-enyl) but-2-ynedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.