Indocyanine Green
TL;DR: Indocyanine Green (CAS 1814902-08-3) 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-[(2Z)-2-[(2E,4E,6E)-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, Wofaverdin, Cardio-Green, Ujoviridin
| Molecular Formula | C43H47N2NaO6S2 |
|---|---|
| Molecular Weight | 774.28 g/mol |
| LogP | 5.3743 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 774.27734 |
| Heavy Atoms | 54 |
| Complexity | 2426.4934 |
Chemical Identifiers
| CAS Number | 1814902-08-3 |
|---|---|
| SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])/C=C/C=C/C=C/C=C\4/C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC6=CC=CC=C65)(C)C)C.[Na+] |
Product Overview
Indocyanine Green (CAS 1814902-08-3), with molecular formula C43H47N2NaO6S2 and molecular weight 774.28 g/mol. IUPAC: sodium 4-[(2Z)-2-[(2E,4E,6E)-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
Property Insights of Indocyanine Green
The XLogP value of 5.3743 indicates that Indocyanine Green is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Indocyanine Green. Following Lipinski's Rule of Five, Indocyanine Green 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?
The CAS number of Indocyanine Green is 1814902-08-3.
What is the molecular formula of Indocyanine Green?
The molecular formula of Indocyanine Green is C43H47N2NaO6S2.
What is the molecular weight of Indocyanine Green?
The molecular weight of Indocyanine Green is 774.28 g/mol.
Where can I buy Indocyanine Green?
You can request a quote for Indocyanine Green directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indocyanine Green?
Yes, KEHONG BIO provides custom synthesis services for Indocyanine Green and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.