2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)-
TL;DR: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- (CAS 5464-98-2) is a chemical compound with molecular formula C10H15NO3SSi and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-yl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 1-(2-Thienyl)silatrane, 5-(3-Chlor-phenyl)-1H-tetrazol, 5-18-12-00580 (Beilstein Handbook Reference), 1-(2-Thienyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(thiophen-2-yl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
| Molecular Formula | C10H15NO3SSi |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 0.273 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.0542 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5464-98-2 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)C3=CC=CS3 |
| InChIKey | GEBJEDOKPRVAJU-UHFFFAOYSA-N |
Product Overview
2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- (CAS 5464-98-2), with molecular formula C10H15NO3SSi and molecular weight 257.05 g/mol. IUPAC: 1-thiophen-2-yl-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-(2-thienyl)-
Property Insights of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)-
The XLogP value of 0.273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)-. With a topological polar surface area (TPSA) of 59.2 Ų, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- 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-(2-thienyl)- 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-(2-thienyl)-?
The CAS number of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- is 5464-98-2.
What is the molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)-?
The molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- is C10H15NO3SSi.
What is the molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)-?
The molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- is 257.05 g/mol.
Where can I buy 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)-?
You can request a quote for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- 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-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.