![5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene structure](/static/products/866/866339-87-9.png)
5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene
TL;DR: 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene (CAS 866339-87-9) is a chemical compound with molecular formula C27H23N3O3 and molecular weight 437.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene
Also Known As: 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene, F1602-0098, 3-(4-ethoxyphenyl)-5-(3-methylbenzyl)-5H-[1,3]dioxolo[4,5-g]pyrazolo[4,3-c]quinoline, 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene
| Molecular Formula | C27H23N3O3 |
|---|---|
| Molecular Weight | 437.17 g/mol |
| LogP | 5.68722 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.17395 |
| Heavy Atoms | 33 |
| Complexity | 1439.5938 |
Chemical Identifiers
| CAS Number | 866339-87-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C3C2=CN(C4=CC5=C(C=C43)OCO5)CC6=CC=CC(=C6)C |
Product Overview
5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene (CAS 866339-87-9), with molecular formula C27H23N3O3 and molecular weight 437.17 g/mol. IUPAC: 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaene.
Chemical Property Profile of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene
Property Insights of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene
The XLogP value of 5.68722 indicates that 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene?
The CAS number of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene is 866339-87-9.
What is the molecular formula of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene?
The molecular formula of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene is C27H23N3O3.
What is the molecular weight of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene?
The molecular weight of 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene is 437.17 g/mol.
Where can I buy 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene?
You can request a quote for 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-ethoxyphenyl)-8-[(3-methylphenyl)methyl]-12,14-dioxa-3,4,8-triazatetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadeca-1(16),2,4,6,9,11(15)-hexaene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.