3-Hexenedinitrile
TL;DR: 3-Hexenedinitrile (CAS 18715-38-3) is a chemical compound with molecular formula C6H6N2 and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-hex-3-enedinitrile
Also Known As: 1,4-Dicyano-2-butene, 3-HEXENEDINITRILE, (E)-Hex-3-enedinitrile, hex-3-enedinitrile, beta-Hydromucononitrile
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 1.36996 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.0531 |
| Heavy Atoms | 8 |
| Complexity | 126.89192 |
Chemical Identifiers
| CAS Number | 18715-38-3 |
|---|---|
| SMILES | C(/C=C/CC#N)C#N |
Product Overview
3-Hexenedinitrile (CAS 18715-38-3), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: (E)-hex-3-enedinitrile.
Chemical Property Profile of 3-Hexenedinitrile
Property Insights of 3-Hexenedinitrile
The XLogP value of 1.36996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexenedinitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 3-Hexenedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexenedinitrile has 0 hydrogen bond donor(s) and 2 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 3-Hexenedinitrile?
The CAS number of 3-Hexenedinitrile is 18715-38-3.
What is the molecular formula of 3-Hexenedinitrile?
The molecular formula of 3-Hexenedinitrile is C6H6N2.
What is the molecular weight of 3-Hexenedinitrile?
The molecular weight of 3-Hexenedinitrile is 106.05 g/mol.
Where can I buy 3-Hexenedinitrile?
You can request a quote for 3-Hexenedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexenedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexenedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.