Methylsilatrane
TL;DR: Methylsilatrane (CAS 2288-13-3) is a chemical compound with molecular formula C7H15NO3Si and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: Methylsilatrane, 1-Methylsilatrane, Methylsilatran, Methylsilatran [German], 5-methyl-silitrane
| Molecular Formula | C7H15NO3Si |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | -0.07 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.08212 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
| Melting Point | 152.2 °C |
| Boiling Point | 173.9 °C at 31 mmHg |
| Solubility | less than 1 mg/mL at 68.9 °F (NTP, 1992) |
| Flash Point | greater than 152.0 °C |
Chemical Identifiers
| CAS Number | 2288-13-3 |
|---|---|
| SMILES | C[Si]12OCCN(CCO1)CCO2 |
| InChIKey | DZLQWMNVOBAZGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylsilatrane (CAS 2288-13-3), with molecular formula C7H15NO3Si and molecular weight 189.08 g/mol. IUPAC: 1-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of Methylsilatrane
Property Insights of Methylsilatrane
The XLogP value of -0.07 indicates that Methylsilatrane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.9 Ų, Methylsilatrane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylsilatrane 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 Methylsilatrane?
The CAS number of Methylsilatrane is 2288-13-3.
What is the molecular formula of Methylsilatrane?
The molecular formula of Methylsilatrane is C7H15NO3Si.
What is the molecular weight of Methylsilatrane?
The molecular weight of Methylsilatrane is 189.08 g/mol.
Where can I buy Methylsilatrane?
You can request a quote for Methylsilatrane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsilatrane?
Yes, KEHONG BIO provides custom synthesis services for Methylsilatrane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.