2-Hexynenitrile
TL;DR: 2-Hexynenitrile (CAS 41727-22-4) is a chemical compound with molecular formula C6H7N and molecular weight 93.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-ynenitrile
Also Known As: 2-Hexynenitrile, hex-2-ynenitrile, cyanopentayne, 1-Cyan-pentin-(1), RefChem:261480
| Molecular Formula | C6H7N |
|---|---|
| Molecular Weight | 93.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 93.057846 |
| Heavy Atoms | 7 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 41727-22-4 |
|---|---|
| SMILES | CCCC#CC#N |
| InChIKey | INVGOSUVGOZKSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hexynenitrile (CAS 41727-22-4), with molecular formula C6H7N and molecular weight 93.06 g/mol. IUPAC: hex-2-ynenitrile.
Chemical Property Profile of 2-Hexynenitrile
Property Insights of 2-Hexynenitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexynenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Hexynenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexynenitrile has 0 hydrogen bond donor(s) and 1 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 2-Hexynenitrile?
The CAS number of 2-Hexynenitrile is 41727-22-4.
What is the molecular formula of 2-Hexynenitrile?
The molecular formula of 2-Hexynenitrile is C6H7N.
What is the molecular weight of 2-Hexynenitrile?
The molecular weight of 2-Hexynenitrile is 93.06 g/mol.
Where can I buy 2-Hexynenitrile?
You can request a quote for 2-Hexynenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexynenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexynenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.