![螺[2.5]辛烷-1,1,2,2-四甲腈 structure](/static/products/1138/113817-63-3.webp)
螺[2.5]辛烷-1,1,2,2-四甲腈
TL;DR: 螺[2.5]辛烷-1,1,2,2-四甲腈 (CAS 113817-63-3) 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.
螺[2.5]辛烷-1,1,2,2-四甲腈
spiro[2.5]octane-1,1,2,2-tetracarbonitrile
Also Known As: Spiro[2.5]octane-1,1,2,2-tetracarbonitrile, tetracyanospiro[2.5]octane, NCIOpen2_004784, Spiro(2.5)octane-1,1,2,2-tetracarbonitrile, Spiro[2.5]octan-1,1,2,2-tetracarbonitril
| Molecular Formula | C12H10N4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.09055 |
| Heavy Atoms | 16 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 113817-63-3 |
|---|---|
| SMILES | C1CCC2(CC1)C(C2(C#N)C#N)(C#N)C#N |
| InChIKey | AGYLCLWDLHJTEA-UHFFFAOYSA-N |
Product Overview
螺[2.5]辛烷-1,1,2,2-四甲腈 (CAS 113817-63-3), with molecular formula C12H10N4 and molecular weight 210.09 g/mol. IUPAC: spiro[2.5]octane-1,1,2,2-tetracarbonitrile.
Chemical Property Profile of 螺[2.5]辛烷-1,1,2,2-四甲腈
Property Insights of 螺[2.5]辛烷-1,1,2,2-四甲腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 螺[2.5]辛烷-1,1,2,2-四甲腈. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 螺[2.5]辛烷-1,1,2,2-四甲腈. Following Lipinski's Rule of Five, 螺[2.5]辛烷-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 螺[2.5]辛烷-1,1,2,2-四甲腈?
The CAS number of 螺[2.5]辛烷-1,1,2,2-四甲腈 is 113817-63-3.
What is the molecular formula of 螺[2.5]辛烷-1,1,2,2-四甲腈?
The molecular formula of 螺[2.5]辛烷-1,1,2,2-四甲腈 is C12H10N4.
What is the molecular weight of 螺[2.5]辛烷-1,1,2,2-四甲腈?
The molecular weight of 螺[2.5]辛烷-1,1,2,2-四甲腈 is 210.09 g/mol.
Where can I buy 螺[2.5]辛烷-1,1,2,2-四甲腈?
You can request a quote for 螺[2.5]辛烷-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 螺[2.5]辛烷-1,1,2,2-四甲腈?
Yes, KEHONG BIO provides custom synthesis services for 螺[2.5]辛烷-1,1,2,2-四甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.