3-甲基-4-环己烯-1,1,2,2-四甲腈
TL;DR: 3-甲基-4-环己烯-1,1,2,2-四甲腈 (CAS 13358-02-6) is a chemical compound with molecular formula C11H8N4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-4-环己烯-1,1,2,2-四甲腈
3-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
Also Known As: 3-Methyl-4-cyclohexene-1,1,2,2-tetracarbonitrile, 3-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile, 3-Methyl-4-cyclohexen-1,1,2,2-tetracarbonitril
| Molecular Formula | C11H8N4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.07489 |
| Heavy Atoms | 15 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 13358-02-6 |
|---|---|
| SMILES | CC1C=CCC(C1(C#N)C#N)(C#N)C#N |
| InChIKey | VQCBYCIFFNDHIQ-UHFFFAOYSA-N |
Product Overview
3-甲基-4-环己烯-1,1,2,2-四甲腈 (CAS 13358-02-6), with molecular formula C11H8N4 and molecular weight 196.07 g/mol. IUPAC: 3-methylcyclohex-4-ene-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 3-甲基-4-环己烯-1,1,2,2-四甲腈
Property Insights of 3-甲基-4-环己烯-1,1,2,2-四甲腈
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-4-环己烯-1,1,2,2-四甲腈. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-甲基-4-环己烯-1,1,2,2-四甲腈. Following Lipinski's Rule of Five, 3-甲基-4-环己烯-1,1,2,2-四甲腈 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 3-甲基-4-环己烯-1,1,2,2-四甲腈?
The CAS number of 3-甲基-4-环己烯-1,1,2,2-四甲腈 is 13358-02-6.
What is the molecular formula of 3-甲基-4-环己烯-1,1,2,2-四甲腈?
The molecular formula of 3-甲基-4-环己烯-1,1,2,2-四甲腈 is C11H8N4.
What is the molecular weight of 3-甲基-4-环己烯-1,1,2,2-四甲腈?
The molecular weight of 3-甲基-4-环己烯-1,1,2,2-四甲腈 is 196.07 g/mol.
Where can I buy 3-甲基-4-环己烯-1,1,2,2-四甲腈?
You can request a quote for 3-甲基-4-环己烯-1,1,2,2-四甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-4-环己烯-1,1,2,2-四甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-4-环己烯-1,1,2,2-四甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.