Dipentyl-3,3,3',3'-tetramethylindocarbocyanine
TL;DR: Dipentyl-3,3,3',3'-tetramethylindocarbocyanine (CAS 53290-46-3) is a chemical compound with molecular formula C37H49IN2 and molecular weight 648.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentylindole iodide
Also Known As: Diic5(3), 4-methyloxazole-5-carbaldehyde, Dipentyl-3,3,3',3'-tetramethylindocarbocyanine, Dipentyl-3,3,3',3'-tetramethylindocarbocyanine iodide, 2-(7-(1,3-Dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl)-3,3-dimethyl-1-pentyl-3H-indolium iodide
| Molecular Formula | C37H49IN2 |
|---|---|
| Molecular Weight | 648.29 g/mol |
| LogP | 6.7975 |
| Topological Polar Surface Area | 6.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 648.29407 |
| Heavy Atoms | 40 |
| Complexity | 1288.7489 |
Chemical Identifiers
| CAS Number | 53290-46-3 |
|---|---|
| SMILES | CCCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C=C\C=C\C3=[N+](C4=CC=CC=C4C3(C)C)CCCCC)(C)C.[I-] |
Product Overview
Dipentyl-3,3,3',3'-tetramethylindocarbocyanine (CAS 53290-46-3), with molecular formula C37H49IN2 and molecular weight 648.29 g/mol. IUPAC: (2E)-2-[(2E,4E,6E)-7-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-pentylindole iodide.
Chemical Property Profile of Dipentyl-3,3,3',3'-tetramethylindocarbocyanine
Property Insights of Dipentyl-3,3,3',3'-tetramethylindocarbocyanine
The XLogP value of 6.7975 indicates that Dipentyl-3,3,3',3'-tetramethylindocarbocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.25 Ų, Dipentyl-3,3,3',3'-tetramethylindocarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dipentyl-3,3,3',3'-tetramethylindocarbocyanine 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 Dipentyl-3,3,3',3'-tetramethylindocarbocyanine?
The CAS number of Dipentyl-3,3,3',3'-tetramethylindocarbocyanine is 53290-46-3.
What is the molecular formula of Dipentyl-3,3,3',3'-tetramethylindocarbocyanine?
The molecular formula of Dipentyl-3,3,3',3'-tetramethylindocarbocyanine is C37H49IN2.
What is the molecular weight of Dipentyl-3,3,3',3'-tetramethylindocarbocyanine?
The molecular weight of Dipentyl-3,3,3',3'-tetramethylindocarbocyanine is 648.29 g/mol.
Where can I buy Dipentyl-3,3,3',3'-tetramethylindocarbocyanine?
You can request a quote for Dipentyl-3,3,3',3'-tetramethylindocarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipentyl-3,3,3',3'-tetramethylindocarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for Dipentyl-3,3,3',3'-tetramethylindocarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.