![3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene structure](/static/products/523/52374-99-9.png)
3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene
TL;DR: 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene (CAS 52374-99-9) is a chemical compound with molecular formula C17H20BNO2 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene
| Molecular Formula | C17H20BNO2 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 2.8111 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.15872 |
| Heavy Atoms | 21 |
| Complexity | 617.4421 |
Chemical Identifiers
| CAS Number | 52374-99-9 |
|---|---|
| SMILES | [B-]1[N+](CC2=C(O1)C=CC(=C2)OC)(C)CCC3=CC=CC=C3 |
Product Overview
3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene (CAS 52374-99-9), with molecular formula C17H20BNO2 and molecular weight 281.16 g/mol.
Chemical Property Profile of 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene
Property Insights of 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene
The XLogP value of 2.8111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene. With a topological polar surface area (TPSA) of 18.46 Ų, 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene has 0 hydrogen bond donor(s) and 2 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 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene?
The CAS number of 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene is 52374-99-9.
What is the molecular formula of 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene?
The molecular formula of 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene is C17H20BNO2.
What is the molecular weight of 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene?
The molecular weight of 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene is 281.16 g/mol.
Where can I buy 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene?
You can request a quote for 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-9-methyl-9-phenethyl-7-oxa-9-azonia-8-boranidabicyclo[4.4.0]deca-1(6),2,4-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.