2-Butynedioic acid, di(2-propynyl) ester
TL;DR: 2-Butynedioic acid, di(2-propynyl) ester (CAS 3154-91-4) is a chemical compound with molecular formula C10H6O4 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-ynyl) but-2-ynedioate
Also Known As: Dipropargyl acetylenedicarboxylate, 2-Butynedioic acid, di(2-propynyl) ester, di(2-propynyl) 2-butynedioate, bis(prop-2-ynyl) but-2-ynedioate, 2-Butynedioicaciddi-2-propynylester
| Molecular Formula | C10H6O4 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.02661 |
| Heavy Atoms | 14 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 3154-91-4 |
|---|---|
| SMILES | C#CCOC(=O)C#CC(=O)OCC#C |
| InChIKey | VKORBUAULXCWCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butynedioic acid, di(2-propynyl) ester (CAS 3154-91-4), with molecular formula C10H6O4 and molecular weight 190.03 g/mol. IUPAC: bis(prop-2-ynyl) but-2-ynedioate.
Chemical Property Profile of 2-Butynedioic acid, di(2-propynyl) ester
Property Insights of 2-Butynedioic acid, di(2-propynyl) ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butynedioic acid, di(2-propynyl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butynedioic acid, di(2-propynyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butynedioic acid, di(2-propynyl) 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 2-Butynedioic acid, di(2-propynyl) ester?
The CAS number of 2-Butynedioic acid, di(2-propynyl) ester is 3154-91-4.
What is the molecular formula of 2-Butynedioic acid, di(2-propynyl) ester?
The molecular formula of 2-Butynedioic acid, di(2-propynyl) ester is C10H6O4.
What is the molecular weight of 2-Butynedioic acid, di(2-propynyl) ester?
The molecular weight of 2-Butynedioic acid, di(2-propynyl) ester is 190.03 g/mol.
Where can I buy 2-Butynedioic acid, di(2-propynyl) ester?
You can request a quote for 2-Butynedioic acid, di(2-propynyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butynedioic acid, di(2-propynyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butynedioic acid, di(2-propynyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.