Phenylsilatrane
TL;DR: Phenylsilatrane (CAS 2097-19-0) is a chemical compound with molecular formula C12H17NO3Si and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: PHENYLSILATRANE, 1-Phenylsilatrane, Fenylsilatran, 1-Fenylosilatranu, Silatrane, phenyl-
| Molecular Formula | C12H17NO3Si |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.09776 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
| Melting Point | 207-208 °C |
| Boiling Point | 350 °C @760 [mm Hg] |
| Vapor Pressure | 0.00001 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 2097-19-0 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)C3=CC=CC=C3 |
| InChIKey | IJOIPPSHQCEBDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylsilatrane (CAS 2097-19-0), with molecular formula C12H17NO3Si and molecular weight 251.10 g/mol. IUPAC: 1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of Phenylsilatrane
Property Insights of Phenylsilatrane
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylsilatrane. With a topological polar surface area (TPSA) of 30.9 Ų, Phenylsilatrane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylsilatrane 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 Phenylsilatrane?
The CAS number of Phenylsilatrane is 2097-19-0.
What is the molecular formula of Phenylsilatrane?
The molecular formula of Phenylsilatrane is C12H17NO3Si.
What is the molecular weight of Phenylsilatrane?
The molecular weight of Phenylsilatrane is 251.10 g/mol.
Where can I buy Phenylsilatrane?
You can request a quote for Phenylsilatrane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylsilatrane?
Yes, KEHONG BIO provides custom synthesis services for Phenylsilatrane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.