trans,trans-Mucononitrile
TL;DR: trans,trans-Mucononitrile (CAS 83399-87-5) is a chemical compound with molecular formula C6H4N2 and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-hexa-2,4-dienedinitrile
Also Known As: Mucondinitrile, mucononitrile, trans,trans-Mucononitrile, 2,4-Hexadienedinitrile, hexa-2,4-dienedinitrile
| Molecular Formula | C6H4N2 |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 1.14596 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.037445 |
| Heavy Atoms | 8 |
| Complexity | 153.68567 |
Chemical Identifiers
| CAS Number | 83399-87-5 |
|---|---|
| SMILES | C(=C/C#N)\C=C\C#N |
Product Overview
trans,trans-Mucononitrile (CAS 83399-87-5), with molecular formula C6H4N2 and molecular weight 104.04 g/mol. IUPAC: (2E,4E)-hexa-2,4-dienedinitrile.
Chemical Property Profile of trans,trans-Mucononitrile
Property Insights of trans,trans-Mucononitrile
The XLogP value of 1.14596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans,trans-Mucononitrile. With a topological polar surface area (TPSA) of 47.58 Ų, trans,trans-Mucononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans,trans-Mucononitrile 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 trans,trans-Mucononitrile?
The CAS number of trans,trans-Mucononitrile is 83399-87-5.
What is the molecular formula of trans,trans-Mucononitrile?
The molecular formula of trans,trans-Mucononitrile is C6H4N2.
What is the molecular weight of trans,trans-Mucononitrile?
The molecular weight of trans,trans-Mucononitrile is 104.04 g/mol.
Where can I buy trans,trans-Mucononitrile?
You can request a quote for trans,trans-Mucononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans,trans-Mucononitrile?
Yes, KEHONG BIO provides custom synthesis services for trans,trans-Mucononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.