5-己炔腈
TL;DR: 5-己炔腈 (CAS 14918-21-9) 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.
5-己炔腈
hex-5-ynenitrile
Also Known As: 5-Cyano-1-pentyne, 5-Hexynenitrile, hex-5-ynenitrile, 5-Cyano-1-pentin, 5-Cyanopent-1-in
| Molecular Formula | C6H7N |
|---|---|
| Molecular Weight | 93.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 93.057846 |
| Heavy Atoms | 7 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 14918-21-9 |
|---|---|
| SMILES | C#CCCCC#N |
| InChIKey | JZYKFLLRVPPISG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-己炔腈 (CAS 14918-21-9), with molecular formula C6H7N and molecular weight 93.06 g/mol. IUPAC: hex-5-ynenitrile.
Chemical Property Profile of 5-己炔腈
Property Insights of 5-己炔腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-己炔腈. With a topological polar surface area (TPSA) of 23.8 Ų, 5-己炔腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-己炔腈 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 5-己炔腈?
The CAS number of 5-己炔腈 is 14918-21-9.
What is the molecular formula of 5-己炔腈?
The molecular formula of 5-己炔腈 is C6H7N.
What is the molecular weight of 5-己炔腈?
The molecular weight of 5-己炔腈 is 93.06 g/mol.
Where can I buy 5-己炔腈?
You can request a quote for 5-己炔腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-己炔腈?
Yes, KEHONG BIO provides custom synthesis services for 5-己炔腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.