8-aminoctane-nitrile
TL;DR: 8-aminoctane-nitrile (CAS 25867-85-0) is a chemical compound with molecular formula C20H35Cl3N2O2 and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[butyl(2-piperidin-1-ylethyl)amino]-3-(2-chlorophenoxy)propan-2-ol;dihydrochloride
Also Known As: 8-aminoctane-nitrile, 1-(Butyl(2-piperidinoethyl)amino)-3-(o-chlorophenoxy)-2-propanol dihydrochloride, 2-Propanol, 1-(butyl(2-piperidinoethyl)amino)-3-(o-chlorophenoxy)-, dihydrochloride, 1-{butyl[2-(piperidin-1-yl)ethyl]amino}-3-(2-chlorophenoxy)propan-2-ol dihydrochloride, 1-[butyl(2-piperidin-1-ylethyl)amino]-3-(2-chlorophenoxy)propan-2-ol dihydrochloride
| Molecular Formula | C20H35Cl3N2O2 |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 4.5113 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 440.17642 |
| Heavy Atoms | 27 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 25867-85-0 |
|---|---|
| SMILES | CCCCN(CCN1CCCCC1)CC(COC2=CC=CC=C2Cl)O.Cl.Cl |
| InChIKey | MYQQWIQCWHGEFZ-UHFFFAOYSA-N |
Product Overview
8-aminoctane-nitrile (CAS 25867-85-0), with molecular formula C20H35Cl3N2O2 and molecular weight 440.18 g/mol. IUPAC: 1-[butyl(2-piperidin-1-ylethyl)amino]-3-(2-chlorophenoxy)propan-2-ol;dihydrochloride.
Chemical Property Profile of 8-aminoctane-nitrile
Property Insights of 8-aminoctane-nitrile
The XLogP value of 4.5113 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 35.9 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 4 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 25867-85-0.
What is the molecular formula of 8-aminoctane-nitrile?
The molecular formula of 8-aminoctane-nitrile is C20H35Cl3N2O2.
What is the molecular weight of 8-aminoctane-nitrile?
The molecular weight of 8-aminoctane-nitrile is 440.18 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.