1,1',3,3,3',3'-Hexamethylindodicarbocyanine
TL;DR: 1,1',3,3,3',3'-Hexamethylindodicarbocyanine (CAS 48221-03-0) is a chemical compound with molecular formula C27H31N2+ and molecular weight 383.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole
Also Known As: 1,1'-Hidc, DiIC1(5), 1,1',3,3,3',3'-Hexamethylindodicarbocyanine, 1,1,3,3,3',3'-HEXAMETHYL-INDODICARBOCYANINE IODIDE, 1,3,3-trimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole
| Molecular Formula | C27H31N2+ |
|---|---|
| Molecular Weight | 383.25 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.24872 |
| Heavy Atoms | 29 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 48221-03-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C |
| InChIKey | BJWYLGUXZMRYGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1',3,3,3',3'-Hexamethylindodicarbocyanine (CAS 48221-03-0), with molecular formula C27H31N2+ and molecular weight 383.25 g/mol. IUPAC: 1,3,3-trimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole.
Chemical Property Profile of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine
Property Insights of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine
The XLogP value of 6.3 indicates that 1,1',3,3,3',3'-Hexamethylindodicarbocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, 1,1',3,3,3',3'-Hexamethylindodicarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1',3,3,3',3'-Hexamethylindodicarbocyanine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine?
The CAS number of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine is 48221-03-0.
What is the molecular formula of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine?
The molecular formula of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine is C27H31N2+.
What is the molecular weight of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine?
The molecular weight of 1,1',3,3,3',3'-Hexamethylindodicarbocyanine is 383.25 g/mol.
Where can I buy 1,1',3,3,3',3'-Hexamethylindodicarbocyanine?
You can request a quote for 1,1',3,3,3',3'-Hexamethylindodicarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',3,3,3',3'-Hexamethylindodicarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for 1,1',3,3,3',3'-Hexamethylindodicarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.