(1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate
TL;DR: (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate (CAS 96123-49-8) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate
Also Known As: 1-butoxycarbonylethyl 2-cyanoprop-2-enoate, 2-Cyano-acrylic acid 1-butoxycarbonyl-ethyl ester
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.34118 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 316.43646 |
Chemical Identifiers
| CAS Number | 96123-49-8 |
|---|---|
| SMILES | CCCCOC(=O)C(C)OC(=O)C(=C)C#N |
Product Overview
(1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate (CAS 96123-49-8), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: (1-butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate.
Chemical Property Profile of (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate
Property Insights of (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate
The XLogP value of 1.34118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate 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 (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate?
The CAS number of (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate is 96123-49-8.
What is the molecular formula of (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate?
The molecular formula of (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate is C11H15NO4.
What is the molecular weight of (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate?
The molecular weight of (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate is 225.10 g/mol.
Where can I buy (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate?
You can request a quote for (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Butoxy-1-oxopropan-2-yl) 2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.