1-Phenoxysilatrane
TL;DR: 1-Phenoxysilatrane (CAS 3463-22-7) is a chemical compound with molecular formula C12H17NO4Si and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenoxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 1-Phenoxysilatrane, 1-Fenoksysilatran, 1-Phenyloxysilatren, 1-Fenoksysilatran [Polish], 1-Phenoxy-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
| Molecular Formula | C12H17NO4Si |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 0.88 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.09268 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 3463-22-7 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)OC3=CC=CC=C3 |
| InChIKey | VXZOISSTUSCPNB-UHFFFAOYSA-N |
Product Overview
1-Phenoxysilatrane (CAS 3463-22-7), with molecular formula C12H17NO4Si and molecular weight 267.09 g/mol. IUPAC: 1-phenoxy-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of 1-Phenoxysilatrane
Property Insights of 1-Phenoxysilatrane
The XLogP value of 0.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenoxysilatrane. With a topological polar surface area (TPSA) of 40.2 Ų, 1-Phenoxysilatrane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenoxysilatrane 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-Phenoxysilatrane?
The CAS number of 1-Phenoxysilatrane is 3463-22-7.
What is the molecular formula of 1-Phenoxysilatrane?
The molecular formula of 1-Phenoxysilatrane is C12H17NO4Si.
What is the molecular weight of 1-Phenoxysilatrane?
The molecular weight of 1-Phenoxysilatrane is 267.09 g/mol.
Where can I buy 1-Phenoxysilatrane?
You can request a quote for 1-Phenoxysilatrane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenoxysilatrane?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenoxysilatrane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.