8-氨基辛腈
TL;DR: 8-氨基辛腈 (CAS 258849-87-5) is a chemical compound with molecular formula C19H32Cl4N2O2 and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-氨基辛腈
1-(2,4-dichlorophenoxy)-3-[2-piperidin-1-ylethyl(propan-2-yl)amino]propan-2-ol;dihydrochloride
Also Known As: 8-aminoctane-nitrile, KST-1B2377, 1-(2,4-Dichlorophenoxy)-3-(isopropyl(2-piperidinoethyl)amino)-2-propanol dihydrochloride, 2-Propanol, 1-(2,4-dichlorophenoxy)-3-(isopropyl(2-piperidinoethyl)amino)-, dihydrochloride, 1-(2,4-dichlorophenoxy)-3-{[2-(piperidin-1-yl)ethyl](propan-2-yl)amino}propan-2-ol dihydrochloride
| Molecular Formula | C19H32Cl4N2O2 |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 4.773 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.1218 |
| Heavy Atoms | 27 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 258849-87-5 |
|---|---|
| SMILES | CC(C)N(CCN1CCCCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O.Cl.Cl |
| InChIKey | NLEXBPTWTDPSDJ-UHFFFAOYSA-N |
Product Overview
8-氨基辛腈 (CAS 258849-87-5), with molecular formula C19H32Cl4N2O2 and molecular weight 460.12 g/mol. IUPAC: 1-(2,4-dichlorophenoxy)-3-[2-piperidin-1-ylethyl(propan-2-yl)amino]propan-2-ol;dihydrochloride.
Chemical Property Profile of 8-氨基辛腈
Property Insights of 8-氨基辛腈
The XLogP value of 4.773 indicates that 8-氨基辛腈 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-氨基辛腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-氨基辛腈 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-氨基辛腈?
The CAS number of 8-氨基辛腈 is 258849-87-5.
What is the molecular formula of 8-氨基辛腈?
The molecular formula of 8-氨基辛腈 is C19H32Cl4N2O2.
What is the molecular weight of 8-氨基辛腈?
The molecular weight of 8-氨基辛腈 is 460.12 g/mol.
Where can I buy 8-氨基辛腈?
You can request a quote for 8-氨基辛腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-氨基辛腈?
Yes, KEHONG BIO provides custom synthesis services for 8-氨基辛腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.