![2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile structure](/static/products/3058/3058-04-6.webp)
2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile
TL;DR: 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile (CAS 3058-04-6) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile
Also Known As: 3,9-Bis(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane, PINACOL, BROMOXYNIL-HEPTANOATE, 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile, 3-[9-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propanenitrile
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 3058-04-6 |
|---|---|
| SMILES | C1C2(COC(O1)CCC#N)COC(OC2)CCC#N |
| InChIKey | BNAMIPLIODPZLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile (CAS 3058-04-6), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: 3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile.
Chemical Property Profile of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile
Property Insights of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile
The XLogP value of -0.3 indicates that 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile. Following Lipinski's Rule of Five, 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile has 0 hydrogen bond donor(s) and 6 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 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile?
The CAS number of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile is 3058-04-6.
What is the molecular formula of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile?
The molecular formula of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile is C13H18N2O4.
What is the molecular weight of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile?
The molecular weight of 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile is 266.13 g/mol.
Where can I buy 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile?
You can request a quote for 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.