Bis(prop-2-ynyl) but-2-enedioate
TL;DR: Bis(prop-2-ynyl) but-2-enedioate (CAS 4580-41-0) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-ynyl) but-2-enedioate
Also Known As: diprop-2-ynyl but-2-enedioate, bis(prop-2-ynyl) but-2-enedioate, 2-Butenedioic acid (Z)-, di-2-propynyl ester
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 4580-41-0 |
|---|---|
| SMILES | C#CCOC(=O)C=CC(=O)OCC#C |
| InChIKey | UDTFMMZGEOHGNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(prop-2-ynyl) but-2-enedioate (CAS 4580-41-0), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: bis(prop-2-ynyl) but-2-enedioate.
Chemical Property Profile of Bis(prop-2-ynyl) but-2-enedioate
Property Insights of Bis(prop-2-ynyl) but-2-enedioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(prop-2-ynyl) but-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(prop-2-ynyl) but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(prop-2-ynyl) but-2-enedioate 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-ynyl) but-2-enedioate?
The CAS number of Bis(prop-2-ynyl) but-2-enedioate is 4580-41-0.
What is the molecular formula of Bis(prop-2-ynyl) but-2-enedioate?
The molecular formula of Bis(prop-2-ynyl) but-2-enedioate is C10H8O4.
What is the molecular weight of Bis(prop-2-ynyl) but-2-enedioate?
The molecular weight of Bis(prop-2-ynyl) but-2-enedioate is 192.04 g/mol.
Where can I buy Bis(prop-2-ynyl) but-2-enedioate?
You can request a quote for Bis(prop-2-ynyl) but-2-enedioate 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-ynyl) but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(prop-2-ynyl) but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.