1-(Phenylethyl)-silatrane
TL;DR: 1-(Phenylethyl)-silatrane (CAS 63330-92-7) is a chemical compound with molecular formula C14H21NO3Si and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-phenylethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 1-(Phenylethyl)-silatrane, 1-phenethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane, 5-phenethyl-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-(2-phenylethyl)-, 5-(2-phenylethyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
| Molecular Formula | C14H21NO3Si |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 1.547 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12906 |
| Heavy Atoms | 19 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 63330-92-7 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)CCC3=CC=CC=C3 |
| InChIKey | BDTNXGFFEHWUHY-UHFFFAOYSA-N |
Product Overview
1-(Phenylethyl)-silatrane (CAS 63330-92-7), with molecular formula C14H21NO3Si and molecular weight 279.13 g/mol. IUPAC: 1-(2-phenylethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of 1-(Phenylethyl)-silatrane
Property Insights of 1-(Phenylethyl)-silatrane
The XLogP value of 1.547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylethyl)-silatrane. With a topological polar surface area (TPSA) of 30.9 Ų, 1-(Phenylethyl)-silatrane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylethyl)-silatrane has 0 hydrogen bond donor(s) and 4 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-(Phenylethyl)-silatrane?
The CAS number of 1-(Phenylethyl)-silatrane is 63330-92-7.
What is the molecular formula of 1-(Phenylethyl)-silatrane?
The molecular formula of 1-(Phenylethyl)-silatrane is C14H21NO3Si.
What is the molecular weight of 1-(Phenylethyl)-silatrane?
The molecular weight of 1-(Phenylethyl)-silatrane is 279.13 g/mol.
Where can I buy 1-(Phenylethyl)-silatrane?
You can request a quote for 1-(Phenylethyl)-silatrane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylethyl)-silatrane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylethyl)-silatrane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.