Diplacin
TL;DR: Diplacin (CAS 863-83-2) is a chemical compound with molecular formula C26H42Cl2N2O6 and molecular weight 548.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3-[2-[1-hydroxy-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]ethoxy]phenoxy]ethyl]-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-ol dichloride
Also Known As: Diplacin, diplacine, Diplacine Dichloride, diplatsin, 6705AD
| Molecular Formula | C26H42Cl2N2O6 |
|---|---|
| Molecular Weight | 548.24 g/mol |
| LogP | -5.6234 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.242 |
| Heavy Atoms | 36 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 863-83-2 |
|---|---|
| SMILES | C1C[N+]2(CCC(C2C1CO)O)CCOC3=CC(=CC=C3)OCC[N+]45CCC(C4C(CC5)O)CO.[Cl-].[Cl-] |
| InChIKey | RUNACLFUDAJMTR-UHFFFAOYSA-L |
Product Overview
Diplacin (CAS 863-83-2), with molecular formula C26H42Cl2N2O6 and molecular weight 548.24 g/mol. IUPAC: 4-[2-[3-[2-[1-hydroxy-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]ethoxy]phenoxy]ethyl]-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-ol dichloride.
Chemical Property Profile of Diplacin
Property Insights of Diplacin
The XLogP value of -5.6234 indicates that Diplacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diplacin. Following Lipinski's Rule of Five, Diplacin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diplacin?
The CAS number of Diplacin is 863-83-2.
What is the molecular formula of Diplacin?
The molecular formula of Diplacin is C26H42Cl2N2O6.
What is the molecular weight of Diplacin?
The molecular weight of Diplacin is 548.24 g/mol.
Where can I buy Diplacin?
You can request a quote for Diplacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diplacin?
Yes, KEHONG BIO provides custom synthesis services for Diplacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.