C44H28N8O11S
TL;DR: C44H28N8O11S (CAS 116962-66-4) is a chemical compound with molecular formula C44H28N8O11S and molecular weight 876.15985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[[4-[(2E)-2-[(7E)-7-[[4-[(2Z)-2-(3-carboxy-4-oxonaphthalen-1-ylidene)hydrazinyl]phenyl]hydrazinylidene]-1,8-dioxo-5-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]hydrazinylidene]-1-oxonaphthalene-2-carboxylic acid
Also Known As: 2-Naphthalenecarboxylic acid, 4,4'-((1,8-dihydroxy-4-sulfonaphthalene-2,7-diyl)bis(azo-4,1-phenyleneazo))bis(1-hydroxy-
Technical Specifications
| Molecular Formula | C44H28N8O11S |
| Molecular Weight | 876.15985 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 303.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 876.15985 Da |
| Heavy Atoms | 64 |
| Complexity | 2420.0 |
| SMILES | C1=CC=C2C(=C1)/C(=N/NC3=CC=C(C=C3)N/N=C/4\C=CC5=C(C4=O)C(=O)/C(=N/NC6=CC=C(C=C6)N/N=C\7/C=C(C(=O)C8=CC=CC=C87)C(=O)O)/C=C5S(=O)(=O)O)/C=C(C2=O)C(=O)O |
| InChIKey | GVWATSZOTOAYGW-SAVQGBCUSA-N |
Chemical Property Profile of C44H28N8O11S
Property Insights of C44H28N8O11S
The XLogP value of 6.4 indicates that C44H28N8O11S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 303.0 Ų indicates high polarity, suggesting C44H28N8O11S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C44H28N8O11S has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C44H28N8O11S?
The CAS number of C44H28N8O11S is 116962-66-4.
What is the molecular formula of C44H28N8O11S?
The molecular formula of C44H28N8O11S is C44H28N8O11S.
What is the molecular weight of C44H28N8O11S?
The molecular weight of C44H28N8O11S is 876.15985 g/mol.
Where can I buy C44H28N8O11S?
You can request a quote for C44H28N8O11S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C44H28N8O11S?
Yes, CoreyChem provides custom synthesis services for C44H28N8O11S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.