Diprop-2-ynyl butanedioate
TL;DR: Diprop-2-ynyl butanedioate (CAS 4580-40-9) 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-ynyl) butanedioate
Also Known As: DIPROP-2-YNYL BUTANEDIOATE, bis(prop-2-ynyl) butanedioate, Bis-propargyl-succinate, di(prop-2-yn-1-yl) succinate, Bernsteinsaeure-dipropargylester
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 4580-40-9 |
|---|---|
| SMILES | C#CCOC(=O)CCC(=O)OCC#C |
| InChIKey | MNANQFINLWEMEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diprop-2-ynyl butanedioate (CAS 4580-40-9), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: bis(prop-2-ynyl) butanedioate.
Chemical Property Profile of Diprop-2-ynyl butanedioate
Property Insights of Diprop-2-ynyl butanedioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diprop-2-ynyl butanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diprop-2-ynyl butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diprop-2-ynyl butanedioate 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 Diprop-2-ynyl butanedioate?
The CAS number of Diprop-2-ynyl butanedioate is 4580-40-9.
What is the molecular formula of Diprop-2-ynyl butanedioate?
The molecular formula of Diprop-2-ynyl butanedioate is C10H10O4.
What is the molecular weight of Diprop-2-ynyl butanedioate?
The molecular weight of Diprop-2-ynyl butanedioate is 194.06 g/mol.
Where can I buy Diprop-2-ynyl butanedioate?
You can request a quote for Diprop-2-ynyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diprop-2-ynyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diprop-2-ynyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.