![2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine structure](/static/products/6057/60579-45-5.webp)
2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine
TL;DR: 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine (CAS 60579-45-5) is a chemical compound with molecular formula C27H31N3O and molecular weight 413.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine
Also Known As: 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine, 2-[4-(6,11-Dihydro-5,12-methanodibenzo[b,f][1,4]diazocin-13-yl)phenoxy]-N,N-diethylethan-1-amine
| Molecular Formula | C27H31N3O |
|---|---|
| Molecular Weight | 413.25 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.2467 |
| Heavy Atoms | 31 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 60579-45-5 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C2N3CC4=CC=CC=C4CN2C5=CC=CC=C53 |
| InChIKey | CZOWEZOBYMHRFX-UHFFFAOYSA-N |
Product Overview
2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine (CAS 60579-45-5), with molecular formula C27H31N3O and molecular weight 413.25 g/mol. IUPAC: 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine.
Chemical Property Profile of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine
Property Insights of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine
The XLogP value of 5.4 indicates that 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine?
The CAS number of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine is 60579-45-5.
What is the molecular formula of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine?
The molecular formula of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine is C27H31N3O.
What is the molecular weight of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine?
The molecular weight of 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine is 413.25 g/mol.
Where can I buy 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine?
You can request a quote for 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-17-yl)phenoxy]-N,N-diethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.