NSC 87877
TL;DR: NSC 87877 (CAS 56990-57-9) is a chemical compound with molecular formula C19H13N3O7S2 and molecular weight 459.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid
Also Known As: NCIStruc1_001562, NCIStruc2_001738, 4,5-Dichlor-2-nitro-benzaldehyd, 5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-, 8-Hydroxy-7-(2-(6-sulfo-2-naphthalenyl)diazenyl)-5-quinolinesulfonic acid
| Molecular Formula | C19H13N3O7S2 |
|---|---|
| Molecular Weight | 459.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.0195 |
| Heavy Atoms | 31 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 56990-57-9 |
|---|---|
| SMILES | C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | XGMFVZOKHBRUTL-UHFFFAOYSA-N |
Product Overview
NSC 87877 (CAS 56990-57-9), with molecular formula C19H13N3O7S2 and molecular weight 459.02 g/mol. IUPAC: 8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid.
Chemical Property Profile of NSC 87877
Property Insights of NSC 87877
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NSC 87877. The TPSA of 183.0 Ų indicates high polarity, suggesting NSC 87877 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NSC 87877 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 87877?
The CAS number of NSC 87877 is 56990-57-9.
What is the molecular formula of NSC 87877?
The molecular formula of NSC 87877 is C19H13N3O7S2.
What is the molecular weight of NSC 87877?
The molecular weight of NSC 87877 is 459.02 g/mol.
Where can I buy NSC 87877?
You can request a quote for NSC 87877 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 87877?
Yes, KEHONG BIO provides custom synthesis services for NSC 87877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.