Neo-Cyanine 3
TL;DR: Neo-Cyanine 3 (CAS 427882-81-3) is a chemical compound with molecular formula C29H33ClKN3O7S2-2 and molecular weight 673.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 2-[3-[5-[(2-chloroacetyl)amino]-1,3,3-trimethylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-[3-(trioxido-λ4-sulfanyl)propyl]indole-5-sulfonate
Also Known As: Neo-Cyanine 3
| Molecular Formula | C29H33ClKN3O7S2-2 |
|---|---|
| Molecular Weight | 673.11 g/mol |
| LogP | 1.6018 |
| Topological Polar Surface Area | 161.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 673.1086 |
| Heavy Atoms | 43 |
| Complexity | 1630.7885 |
Chemical Identifiers
| CAS Number | 427882-81-3 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)NC(=O)CCl)[N+](=C1C=CC=C3C(C4=C(N3CCCS([O-])([O-])[O-])C=CC(=C4)S(=O)(=O)[O-])(C)C)C)C.[K+] |
Product Overview
Neo-Cyanine 3 (CAS 427882-81-3), with molecular formula C29H33ClKN3O7S2-2 and molecular weight 673.11 g/mol. IUPAC: potassium 2-[3-[5-[(2-chloroacetyl)amino]-1,3,3-trimethylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-[3-(trioxido-λ4-sulfanyl)propyl]indole-5-sulfonate.
Chemical Property Profile of Neo-Cyanine 3
Property Insights of Neo-Cyanine 3
The XLogP value of 1.6018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neo-Cyanine 3. The TPSA of 161.73 Ų indicates high polarity, suggesting Neo-Cyanine 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neo-Cyanine 3 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neo-Cyanine 3?
The CAS number of Neo-Cyanine 3 is 427882-81-3.
What is the molecular formula of Neo-Cyanine 3?
The molecular formula of Neo-Cyanine 3 is C29H33ClKN3O7S2-2.
What is the molecular weight of Neo-Cyanine 3?
The molecular weight of Neo-Cyanine 3 is 673.11 g/mol.
Where can I buy Neo-Cyanine 3?
You can request a quote for Neo-Cyanine 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neo-Cyanine 3?
Yes, KEHONG BIO provides custom synthesis services for Neo-Cyanine 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.