2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile
TL;DR: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile (CAS 79747-04-9) is a chemical compound with molecular formula C10H18N2O3Si and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)butanenitrile
Also Known As: NCI60_008400, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile, 4-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)butanenitrile, 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-butane nitrile, 4-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yl)butanenitrile
| Molecular Formula | C10H18N2O3Si |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 0.60808 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10867 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 79747-04-9 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)CCCC#N |
| InChIKey | CGPZMTAMGCNLFK-UHFFFAOYSA-N |
Product Overview
2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile (CAS 79747-04-9), with molecular formula C10H18N2O3Si and molecular weight 242.11 g/mol. IUPAC: 4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)butanenitrile.
Chemical Property Profile of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile
Property Insights of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile
The XLogP value of 0.60808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile. With a topological polar surface area (TPSA) of 54.7 Ų, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile has 0 hydrogen bond donor(s) and 5 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 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile?
The CAS number of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile is 79747-04-9.
What is the molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile?
The molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile is C10H18N2O3Si.
What is the molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile?
The molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile is 242.11 g/mol.
Where can I buy 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile?
You can request a quote for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.