Indocyanine Green (~90%)
TL;DR: Indocyanine Green (~90%) (CAS 3599-32-4) is a chemical compound with molecular formula C43H47N2NaO6S2 and molecular weight 774.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate
Also Known As: indocyanine green, Cardiogreen, Cardio-Green, Ujoviridin, Wofaverdin
| Molecular Formula | C43H47N2NaO6S2 |
|---|---|
| Molecular Weight | 774.28 g/mol |
| LogP | 5.37 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 774.27734 |
| Heavy Atoms | 54 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 3599-32-4 |
|---|---|
| SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C=CC=CC=CC=C4C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+] |
| InChIKey | MOFVSTNWEDAEEK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indocyanine Green (~90%) (CAS 3599-32-4), with molecular formula C43H47N2NaO6S2 and molecular weight 774.28 g/mol. IUPAC: sodium 4-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonate.
Chemical Property Profile of Indocyanine Green (~90%)
Property Insights of Indocyanine Green (~90%)
The XLogP value of 5.37 indicates that Indocyanine Green (~90%) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indocyanine Green (~90%). Following Lipinski's Rule of Five, Indocyanine Green (~90%) has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Indocyanine Green (~90%)?
The CAS number of Indocyanine Green (~90%) is 3599-32-4.
What is the molecular formula of Indocyanine Green (~90%)?
The molecular formula of Indocyanine Green (~90%) is C43H47N2NaO6S2.
What is the molecular weight of Indocyanine Green (~90%)?
The molecular weight of Indocyanine Green (~90%) is 774.28 g/mol.
Where can I buy Indocyanine Green (~90%)?
You can request a quote for Indocyanine Green (~90%) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indocyanine Green (~90%)?
Yes, KEHONG BIO provides custom synthesis services for Indocyanine Green (~90%) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.