Polyisohexylcyanoacrylate
TL;DR: Polyisohexylcyanoacrylate (CAS 107811-80-3) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpentyl 2-cyanoprop-2-enoate
Also Known As: isohexylcyanoacrylate, Polyisohexylcyanoacrylate, Ihca, PIHCA, isohexyl cyanoacrylate
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 107811-80-3 |
|---|---|
| SMILES | CC(C)CCCOC(=O)C(=C)C#N |
| InChIKey | HFQQYIUTYJVYFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Polyisohexylcyanoacrylate (CAS 107811-80-3), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 4-methylpentyl 2-cyanoprop-2-enoate.
Chemical Property Profile of Polyisohexylcyanoacrylate
Property Insights of Polyisohexylcyanoacrylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Polyisohexylcyanoacrylate. With a topological polar surface area (TPSA) of 50.1 Ų, Polyisohexylcyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Polyisohexylcyanoacrylate 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 Polyisohexylcyanoacrylate?
The CAS number of Polyisohexylcyanoacrylate is 107811-80-3.
What is the molecular formula of Polyisohexylcyanoacrylate?
The molecular formula of Polyisohexylcyanoacrylate is C10H15NO2.
What is the molecular weight of Polyisohexylcyanoacrylate?
The molecular weight of Polyisohexylcyanoacrylate is 181.11 g/mol.
Where can I buy Polyisohexylcyanoacrylate?
You can request a quote for Polyisohexylcyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polyisohexylcyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Polyisohexylcyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.