1,4-Dithiindiium
TL;DR: 1,4-Dithiindiium (CAS 136449-85-9) is a chemical compound with molecular formula C25H50N4O2 and molecular weight 438.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-Dithiindiium
2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide
Also Known As: 1,4-Dithiindiium, Npc 15437, NPC 15437 Dihydrochloride, NPC-15437 dihydrochloride, 2,6-Diamino-N-((1-(oxotridecyl)-2-piperidinyl)methyl)hexanamide
| Molecular Formula | C25H50N4O2 |
|---|---|
| Molecular Weight | 438.39 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 438.39337 |
| Heavy Atoms | 31 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 136449-85-9 |
|---|---|
| SMILES | CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)C(CCCCN)N |
| InChIKey | HXQRGYNEDCHJPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiindiium (CAS 136449-85-9), with molecular formula C25H50N4O2 and molecular weight 438.39 g/mol. IUPAC: 2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide.
Chemical Property Profile of 1,4-Dithiindiium
Property Insights of 1,4-Dithiindiium
The XLogP value of 4.9 indicates that 1,4-Dithiindiium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dithiindiium. Following Lipinski's Rule of Five, 1,4-Dithiindiium 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 1,4-Dithiindiium?
The CAS number of 1,4-Dithiindiium is 136449-85-9.
What is the molecular formula of 1,4-Dithiindiium?
The molecular formula of 1,4-Dithiindiium is C25H50N4O2.
What is the molecular weight of 1,4-Dithiindiium?
The molecular weight of 1,4-Dithiindiium is 438.39 g/mol.
Where can I buy 1,4-Dithiindiium?
You can request a quote for 1,4-Dithiindiium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiindiium?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiindiium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.