Diprop-2-en-1-yl 2-oxobutanedioate
TL;DR: Diprop-2-en-1-yl 2-oxobutanedioate (CAS 81078-82-2) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) 2-oxobutanedioate
Also Known As: Fenhexamid, diprop-2-en-1-yl 2-oxobutanedioate, bis(prop-2-enyl) 2-oxobutanedioate, Di(prop-2-en-1-yl) 2-oxobutanedioate, Butanedioic acid, 2-oxo-, 1,4-di-2-propen-1-yl ester
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 81078-82-2 |
|---|---|
| SMILES | C=CCOC(=O)CC(=O)C(=O)OCC=C |
| InChIKey | UNEHOSJPIZAAGH-UHFFFAOYSA-N |
Product Overview
Diprop-2-en-1-yl 2-oxobutanedioate (CAS 81078-82-2), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: bis(prop-2-enyl) 2-oxobutanedioate.
Chemical Property Profile of Diprop-2-en-1-yl 2-oxobutanedioate
Property Insights of Diprop-2-en-1-yl 2-oxobutanedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diprop-2-en-1-yl 2-oxobutanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diprop-2-en-1-yl 2-oxobutanedioate. Following Lipinski's Rule of Five, Diprop-2-en-1-yl 2-oxobutanedioate has 0 hydrogen bond donor(s) and 5 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-en-1-yl 2-oxobutanedioate?
The CAS number of Diprop-2-en-1-yl 2-oxobutanedioate is 81078-82-2.
What is the molecular formula of Diprop-2-en-1-yl 2-oxobutanedioate?
The molecular formula of Diprop-2-en-1-yl 2-oxobutanedioate is C10H12O5.
What is the molecular weight of Diprop-2-en-1-yl 2-oxobutanedioate?
The molecular weight of Diprop-2-en-1-yl 2-oxobutanedioate is 212.07 g/mol.
Where can I buy Diprop-2-en-1-yl 2-oxobutanedioate?
You can request a quote for Diprop-2-en-1-yl 2-oxobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diprop-2-en-1-yl 2-oxobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diprop-2-en-1-yl 2-oxobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.