Prop-2-ynyl 2-cyanoacrylate
TL;DR: Prop-2-ynyl 2-cyanoacrylate (CAS 44898-13-7) is a chemical compound with molecular formula C7H5NO2 and molecular weight 135.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 2-cyanoprop-2-enoate
Also Known As: Prop-2-ynyl 2-cyanoacrylate, prop-2-ynyl2-cyanoacrylate, prop-2-ynyl 2-cyanoprop-2-enoate, propargyl 2-cyano-acrylate, EINECS 256-168-2
| Molecular Formula | C7H5NO2 |
|---|---|
| Molecular Weight | 135.03 g/mol |
| LogP | 0.24258 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.03203 |
| Heavy Atoms | 10 |
| Complexity | 228.97112 |
Chemical Identifiers
| CAS Number | 44898-13-7 |
|---|---|
| SMILES | C=C(C#N)C(=O)OCC#C |
Product Overview
Prop-2-ynyl 2-cyanoacrylate (CAS 44898-13-7), with molecular formula C7H5NO2 and molecular weight 135.03 g/mol. IUPAC: prop-2-ynyl 2-cyanoprop-2-enoate.
Chemical Property Profile of Prop-2-ynyl 2-cyanoacrylate
Property Insights of Prop-2-ynyl 2-cyanoacrylate
The XLogP value of 0.24258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl 2-cyanoacrylate. With a topological polar surface area (TPSA) of 50.09 Ų, Prop-2-ynyl 2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl 2-cyanoacrylate has 0 hydrogen bond donor(s) and 3 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 Prop-2-ynyl 2-cyanoacrylate?
The CAS number of Prop-2-ynyl 2-cyanoacrylate is 44898-13-7.
What is the molecular formula of Prop-2-ynyl 2-cyanoacrylate?
The molecular formula of Prop-2-ynyl 2-cyanoacrylate is C7H5NO2.
What is the molecular weight of Prop-2-ynyl 2-cyanoacrylate?
The molecular weight of Prop-2-ynyl 2-cyanoacrylate is 135.03 g/mol.
Where can I buy Prop-2-ynyl 2-cyanoacrylate?
You can request a quote for Prop-2-ynyl 2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl 2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl 2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.