Xinjunan
TL;DR: Xinjunan (CAS 57413-95-3) is a chemical compound with molecular formula C20H45N3 and molecular weight 327.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine
Also Known As: Xinjunan, dioctyldiethylenetriamine, SEBOCTYLAMINE, Xinjunan (single isomer), SEBOCTYLAMINE [ISO]
| Molecular Formula | C20H45N3 |
|---|---|
| Molecular Weight | 327.36 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 327.36136 |
| Heavy Atoms | 23 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 57413-95-3 |
|---|---|
| SMILES | CCCCCCCCNCCNCCNCCCCCCCC |
| InChIKey | OXWFFWJKUNMMSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xinjunan (CAS 57413-95-3), with molecular formula C20H45N3 and molecular weight 327.36 g/mol. IUPAC: N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine.
Chemical Property Profile of Xinjunan
Property Insights of Xinjunan
The XLogP value of 5.8 indicates that Xinjunan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, Xinjunan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xinjunan has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xinjunan?
The CAS number of Xinjunan is 57413-95-3.
What is the molecular formula of Xinjunan?
The molecular formula of Xinjunan is C20H45N3.
What is the molecular weight of Xinjunan?
The molecular weight of Xinjunan is 327.36 g/mol.
Where can I buy Xinjunan?
You can request a quote for Xinjunan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xinjunan?
Yes, KEHONG BIO provides custom synthesis services for Xinjunan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.