![1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane structure](/static/products/6333/63331-02-2.webp)
1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
TL;DR: 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane (CAS 63331-02-2) is a chemical compound with molecular formula C9H19NO3SSi and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(ethylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 1-(ethylthiomethyl)silatrane, ethyl (1-silatranyl)methyl sulfide, BAS 01184643, J1.119.878C, 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
| Molecular Formula | C9H19NO3SSi |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 0.5966 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0855 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 63331-02-2 |
|---|---|
| SMILES | CCSC[Si]12OCCN(CCO1)CCO2 |
| InChIKey | JMMUPWDOXRGHOT-UHFFFAOYSA-N |
Product Overview
1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane (CAS 63331-02-2), with molecular formula C9H19NO3SSi and molecular weight 249.09 g/mol. IUPAC: 1-(ethylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
Property Insights of 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane
The XLogP value of 0.5966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane. With a topological polar surface area (TPSA) of 56.2 Ų, 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane 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 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane?
The CAS number of 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane is 63331-02-2.
What is the molecular formula of 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane?
The molecular formula of 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane is C9H19NO3SSi.
What is the molecular weight of 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane?
The molecular weight of 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane is 249.09 g/mol.
Where can I buy 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane?
You can request a quote for 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylsulfanylmethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.