1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
TL;DR: 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane (CAS 29025-67-0) is a chemical compound with molecular formula C12H16ClNO3Si and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Also Known As: 1-(p-Chlorophenyl)silatrane, p-Chlorophenylsilatrane, p-Chlorfenylsilatran, Caswell No. 213B, 5-(4-Chlorophenyl)silatrane
| Molecular Formula | C12H16ClNO3Si |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 0.86 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.0588 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 29025-67-0 |
|---|---|
| SMILES | C1CO[Si]2(OCCN1CCO2)C3=CC=C(C=C3)Cl |
| InChIKey | IKFVTMCLFHXPQF-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane (CAS 29025-67-0), with molecular formula C12H16ClNO3Si and molecular weight 285.06 g/mol. IUPAC: 1-(4-chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
Chemical Property Profile of 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
Property Insights of 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
The XLogP value of 0.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane. With a topological polar surface area (TPSA) of 30.9 Ų, 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane 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-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane?
The CAS number of 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane is 29025-67-0.
What is the molecular formula of 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane?
The molecular formula of 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane is C12H16ClNO3Si.
What is the molecular weight of 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane?
The molecular weight of 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane is 285.06 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane?
You can request a quote for 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.