3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-
TL;DR: 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- (CAS 859-20-1) is a chemical compound with molecular formula C22H39NO4 and molecular weight 381.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
Also Known As: 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-, 12-Ethyl-1-(thymyloxy)-3,6,9-trioxa-12-azatetradecane, n,n-diethyl-2-[2-(2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethanamine, N,N-diethyl-2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine, N,N-Diethyl-2-[2-(2-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethan-1-amine
| Molecular Formula | C22H39NO4 |
|---|---|
| Molecular Weight | 381.29 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 381.2879 |
| Heavy Atoms | 27 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 859-20-1 |
|---|---|
| SMILES | CCN(CC)CCOCCOCCOCCOC1=C(C=CC(=C1)C)C(C)C |
| InChIKey | WJCSTYNOBZHEQN-UHFFFAOYSA-N |
Product Overview
3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- (CAS 859-20-1), with molecular formula C22H39NO4 and molecular weight 381.29 g/mol. IUPAC: N,N-diethyl-2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine.
Chemical Property Profile of 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-
Property Insights of 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-
The XLogP value of 4.1 indicates that 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- has 0 hydrogen bond donor(s) and 5 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 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-?
The CAS number of 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- is 859-20-1.
What is the molecular formula of 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-?
The molecular formula of 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- is C22H39NO4.
What is the molecular weight of 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-?
The molecular weight of 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- is 381.29 g/mol.
Where can I buy 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-?
You can request a quote for 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 3,6,9-Trioxa-12-azatetradecane, 12-ethyl-1-(thymyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.