1-(m-Methylphenoxy)-silatrane
TL;DR: 1-(m-Methylphenoxy)-silatrane (CAS 13644-07-0) is a chemical compound with molecular formula C13H19NO4Si and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 1-(m-methylphenoxy)-silatrane, 1-(m-Methylphenoxy)silatrane, J1.590.172A, 1-(3-Methylphenoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 5-(3-methylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
| Molecular Formula | C13H19NO4Si |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 1.18842 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.10834 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 13644-07-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)O[Si]23OCCN(CCO2)CCO3 |
| InChIKey | OZMGDSKOCTZDTK-UHFFFAOYSA-N |
Product Overview
1-(m-Methylphenoxy)-silatrane (CAS 13644-07-0), with molecular formula C13H19NO4Si and molecular weight 281.11 g/mol. IUPAC: 1-(3-methylphenoxy)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of 1-(m-Methylphenoxy)-silatrane
Property Insights of 1-(m-Methylphenoxy)-silatrane
The XLogP value of 1.18842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(m-Methylphenoxy)-silatrane. With a topological polar surface area (TPSA) of 40.2 Ų, 1-(m-Methylphenoxy)-silatrane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(m-Methylphenoxy)-silatrane 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-(m-Methylphenoxy)-silatrane?
The CAS number of 1-(m-Methylphenoxy)-silatrane is 13644-07-0.
What is the molecular formula of 1-(m-Methylphenoxy)-silatrane?
The molecular formula of 1-(m-Methylphenoxy)-silatrane is C13H19NO4Si.
What is the molecular weight of 1-(m-Methylphenoxy)-silatrane?
The molecular weight of 1-(m-Methylphenoxy)-silatrane is 281.11 g/mol.
Where can I buy 1-(m-Methylphenoxy)-silatrane?
You can request a quote for 1-(m-Methylphenoxy)-silatrane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(m-Methylphenoxy)-silatrane?
Yes, KEHONG BIO provides custom synthesis services for 1-(m-Methylphenoxy)-silatrane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.