Indocyanine green acid form
TL;DR: Indocyanine green acid form (CAS 28782-33-4) is a chemical compound with molecular formula C43H49N2O6S2+ and molecular weight 753.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid
Also Known As: Indocyanine green acid form, 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid
| Molecular Formula | C43H49N2O6S2+ |
|---|---|
| Molecular Weight | 753.30 g/mol |
| LogP | 9.0555 |
| Topological Polar Surface Area | 114.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 753.3032 |
| Heavy Atoms | 53 |
| Complexity | 2419.3093 |
Chemical Identifiers
| CAS Number | 28782-33-4 |
|---|---|
| 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 |
Product Overview
Indocyanine green acid form (CAS 28782-33-4), with molecular formula C43H49N2O6S2+ and molecular weight 753.30 g/mol. IUPAC: 4-[(2Z)-2-[(2E,4E,6E)-7-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]butane-1-sulfonic acid.
Chemical Property Profile of Indocyanine green acid form
Property Insights of Indocyanine green acid form
The XLogP value of 9.0555 indicates that Indocyanine green acid form is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Indocyanine green acid form. Following Lipinski's Rule of Five, Indocyanine green acid form has 2 hydrogen bond donor(s) and 5 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 acid form?
The CAS number of Indocyanine green acid form is 28782-33-4.
What is the molecular formula of Indocyanine green acid form?
The molecular formula of Indocyanine green acid form is C43H49N2O6S2+.
What is the molecular weight of Indocyanine green acid form?
The molecular weight of Indocyanine green acid form is 753.30 g/mol.
Where can I buy Indocyanine green acid form?
You can request a quote for Indocyanine green acid form directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indocyanine green acid form?
Yes, KEHONG BIO provides custom synthesis services for Indocyanine green acid form and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.