己-2,4-二烯腈
TL;DR: 己-2,4-二烯腈 (CAS 1516-01-4) 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.
己-2,4-二烯腈
hexa-2,4-dienenitrile
Also Known As: 2,4-Hexadienenitrile, Sorbonitrile, pentadienyl cyanide, HEXA-2,4-DIENENITRILE, (2E,4E)-hexa-2,4-dienenitrile
| Molecular Formula | C6H7N |
|---|---|
| Molecular Weight | 93.06 g/mol |
| LogP | 1.4 |
| 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 | 122.0 |
Chemical Identifiers
| CAS Number | 1516-01-4 |
|---|---|
| SMILES | CC=CC=CC#N |
| InChIKey | NYKHMTWWXWMMHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己-2,4-二烯腈 (CAS 1516-01-4), with molecular formula C6H7N and molecular weight 93.06 g/mol. IUPAC: hexa-2,4-dienenitrile.
Chemical Property Profile of 己-2,4-二烯腈
Property Insights of 己-2,4-二烯腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己-2,4-二烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 己-2,4-二烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己-2,4-二烯腈 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 己-2,4-二烯腈?
The CAS number of 己-2,4-二烯腈 is 1516-01-4.
What is the molecular formula of 己-2,4-二烯腈?
The molecular formula of 己-2,4-二烯腈 is C6H7N.
What is the molecular weight of 己-2,4-二烯腈?
The molecular weight of 己-2,4-二烯腈 is 93.06 g/mol.
Where can I buy 己-2,4-二烯腈?
You can request a quote for 己-2,4-二烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己-2,4-二烯腈?
Yes, KEHONG BIO provides custom synthesis services for 己-2,4-二烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.