2-Hexenedinitrile, (2E)-
TL;DR: 2-Hexenedinitrile, (2E)- (CAS 13135-99-4) 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-2-enedinitrile
Also Known As: 2-Hexenedinitrile, hex-2-enedinitrile, 2-Hexenodinitrilo, Dihydromucodinitrile, 1,4-dicyanobutene
| 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 | 144.89192 |
Chemical Identifiers
| CAS Number | 13135-99-4 |
|---|---|
| SMILES | C(CC#N)/C=C/C#N |
Product Overview
2-Hexenedinitrile, (2E)- (CAS 13135-99-4), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: (E)-hex-2-enedinitrile.
Chemical Property Profile of 2-Hexenedinitrile, (2E)-
Property Insights of 2-Hexenedinitrile, (2E)-
The XLogP value of 1.36996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexenedinitrile, (2E)-. With a topological polar surface area (TPSA) of 47.58 Ų, 2-Hexenedinitrile, (2E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexenedinitrile, (2E)- 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 2-Hexenedinitrile, (2E)-?
The CAS number of 2-Hexenedinitrile, (2E)- is 13135-99-4.
What is the molecular formula of 2-Hexenedinitrile, (2E)-?
The molecular formula of 2-Hexenedinitrile, (2E)- is C6H6N2.
What is the molecular weight of 2-Hexenedinitrile, (2E)-?
The molecular weight of 2-Hexenedinitrile, (2E)- is 106.05 g/mol.
Where can I buy 2-Hexenedinitrile, (2E)-?
You can request a quote for 2-Hexenedinitrile, (2E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexenedinitrile, (2E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexenedinitrile, (2E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.