![2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol structure](/static/products/896/896844-88-5.png)
2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol
TL;DR: 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol (CAS 896844-88-5) is a chemical compound with molecular formula C24H26N4O3 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl-(4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)amino]ethanol
Also Known As: 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol, 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol, 2-(Benzyl((4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo(8.7.0.0^(2,7).0^(12,17))heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl))amino)ethan-1-ol, 2-(benzyl(2,2,5-trimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino)ethanol, 2-[benzyl(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino]ethanol
| Molecular Formula | C24H26N4O3 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 3.92962 |
| Topological Polar Surface Area | 84.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.2005 |
| Heavy Atoms | 31 |
| Complexity | 1250.3927 |
Chemical Identifiers
| CAS Number | 896844-88-5 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=NC=N4)N(CCO)CC5=CC=CC=C5)OC3=N1)(C)C |
Product Overview
2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol (CAS 896844-88-5), with molecular formula C24H26N4O3 and molecular weight 418.20 g/mol. IUPAC: 2-[benzyl-(4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)amino]ethanol.
Chemical Property Profile of 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol
Property Insights of 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol
The XLogP value of 3.92962 indicates that 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol. Following Lipinski's Rule of Five, 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol has 1 hydrogen bond donor(s) and 7 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 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol?
The CAS number of 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol is 896844-88-5.
What is the molecular formula of 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol?
The molecular formula of 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol is C24H26N4O3.
What is the molecular weight of 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol?
The molecular weight of 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol is 418.20 g/mol.
Where can I buy 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol?
You can request a quote for 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-[benzyl({4,4,8-trimethyl-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl})amino]ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.