![2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- structure](/static/products/6307/63071-89-6.webp)
2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-
TL;DR: 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- (CAS 63071-89-6) is a chemical compound with molecular formula C13H19NO3SSi and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(phenylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 1-(phenylthiomethyl)silatrane, BAS 01183907, 5-(phenylsulfanylmethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane, 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-, 1-(phenylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
| Molecular Formula | C13H19NO3SSi |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 1.6358 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.08548 |
| Heavy Atoms | 19 |
| Complexity | 379.6053 |
Chemical Identifiers
| CAS Number | 63071-89-6 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)CSC3=CC=CC=C3 |
Product Overview
2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- (CAS 63071-89-6), with molecular formula C13H19NO3SSi and molecular weight 297.09 g/mol. IUPAC: 1-(phenylsulfanylmethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-
Property Insights of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-
The XLogP value of 1.6358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-. With a topological polar surface area (TPSA) of 30.93 Ų, 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- 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-[(phenylthio)methyl]- 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-[(phenylthio)methyl]-?
The CAS number of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- is 63071-89-6.
What is the molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-?
The molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- is C13H19NO3SSi.
What is the molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-?
The molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- is 297.09 g/mol.
Where can I buy 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]-?
You can request a quote for 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- 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-[(phenylthio)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-[(phenylthio)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.