8-aminoctane-nitrile
TL;DR: 8-aminoctane-nitrile (CAS 258-78-6) is a chemical compound with molecular formula C18H30Cl4N2O3 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenoxy)-3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propan-2-ol;dihydrochloride
Also Known As: 8-aminoctane-nitrile, KST-1B2373, 1-(2,4-Dichlorophenoxy)-3-(isopropyl(2-morpholinoethyl)amino)-2-propanol dihydrochloride, 2-Propanol, 1-(2,4-dichlorophenoxy)-3-(isopropyl(2-morpholinoethyl)amino)-, dihydrochloride, 1-(2,4-dichlorophenoxy)-3-{[2-(morpholin-4-yl)ethyl](propan-2-yl)amino}propan-2-ol dihydrochloride
| Molecular Formula | C18H30Cl4N2O3 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 3.6193 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 462.10104 |
| Heavy Atoms | 27 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 258-78-6 |
|---|---|
| SMILES | CC(C)N(CCN1CCOCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O.Cl.Cl |
| InChIKey | HQFVCAQLTXIDPJ-UHFFFAOYSA-N |
Product Overview
8-aminoctane-nitrile (CAS 258-78-6), with molecular formula C18H30Cl4N2O3 and molecular weight 462.10 g/mol. IUPAC: 1-(2,4-dichlorophenoxy)-3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propan-2-ol;dihydrochloride.
Chemical Property Profile of 8-aminoctane-nitrile
Property Insights of 8-aminoctane-nitrile
The XLogP value of 3.6193 indicates that 8-aminoctane-nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, 8-aminoctane-nitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-aminoctane-nitrile has 3 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 8-aminoctane-nitrile?
The CAS number of 8-aminoctane-nitrile is 258-78-6.
What is the molecular formula of 8-aminoctane-nitrile?
The molecular formula of 8-aminoctane-nitrile is C18H30Cl4N2O3.
What is the molecular weight of 8-aminoctane-nitrile?
The molecular weight of 8-aminoctane-nitrile is 462.10 g/mol.
Where can I buy 8-aminoctane-nitrile?
You can request a quote for 8-aminoctane-nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-aminoctane-nitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-aminoctane-nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.