NCI60_003109
TL;DR: NCI60_003109 (CAS 145037-85-0) is a chemical compound with molecular formula C34H24N4O14S4 and molecular weight 840.0172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-[[4-[2-[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1-sulfonic acid
Also Known As: NCI60_003109, 3,3a(2)-[1,2-Ethenediylbis[(3-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[4-hydroxy-1-naphthalenesulfonic acid]
Technical Specifications
| Molecular Formula | C34H24N4O14S4 |
| Molecular Weight | 840.0172 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 341.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 840.0172 Da |
| Heavy Atoms | 56 |
| Complexity | 1790.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | OORCZLZITMPZPT-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_003109
Property Insights of NCI60_003109
The XLogP value of 4.5 indicates that NCI60_003109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 341.0 Ų indicates high polarity, suggesting NCI60_003109 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_003109 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NCI60_003109?
The CAS number of NCI60_003109 is 145037-85-0.
What is the molecular formula of NCI60_003109?
The molecular formula of NCI60_003109 is C34H24N4O14S4.
What is the molecular weight of NCI60_003109?
The molecular weight of NCI60_003109 is 840.0172 g/mol.
Where can I buy NCI60_003109?
You can request a quote for NCI60_003109 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_003109?
Yes, CoreyChem provides custom synthesis services for NCI60_003109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.