1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-
TL;DR: 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- (CAS 3695-97-4) is a chemical compound with molecular formula C12H10N4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylhexa-1,5-diene-1,1,6,6-tetracarbonitrile
Also Known As: 1,1,6,6-Tetracyano-2,5-dimethyl-hexadien-(1,5), 1,5-HEXADIENE-1,1,6,6-TETRACARBONITRILE, 2,5-DIMETHYL-, 2,5-Dimethyl-1,5-hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethylhexa-1,5-diene-1,1,6,6-tetracarbonitrile, BRN 2096565
| Molecular Formula | C12H10N4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.09055 |
| Heavy Atoms | 16 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 3695-97-4 |
|---|---|
| SMILES | CC(=C(C#N)C#N)CCC(=C(C#N)C#N)C |
| InChIKey | NRSBGAZEEFLSFW-UHFFFAOYSA-N |
Product Overview
1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- (CAS 3695-97-4), with molecular formula C12H10N4 and molecular weight 210.09 g/mol. IUPAC: 2,5-dimethylhexa-1,5-diene-1,1,6,6-tetracarbonitrile.
Chemical Property Profile of 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-
Property Insights of 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-. Following Lipinski's Rule of Five, 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- has 0 hydrogen bond donor(s) and 4 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 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-?
The CAS number of 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- is 3695-97-4.
What is the molecular formula of 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-?
The molecular formula of 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- is C12H10N4.
What is the molecular weight of 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-?
The molecular weight of 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- is 210.09 g/mol.
Where can I buy 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-?
You can request a quote for 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.