RefChem:1063409
TL;DR: RefChem:1063409 (CAS 63680-65-9) is a chemical compound with molecular formula C17H18N2O8S and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-7-[(2-hydroxy-2-phenylacetyl)amino]quinoline-5-sulfonic acid;dihydrate
Also Known As: 8-Hydroxy-7-((beta-hydroxy-alpha-oxo)phenethylamino)-5-quinolinesulfonic acid dihydrate, 8-hydroxy-7-{[hydroxy(phenyl)acetyl]amino}quinoline-5-sulfonic acid dihydrate, 2-Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)-2-phenylethanimidic acid--water (1/2), 5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-alpha-oxo)phenethylamino)-, dihydrate, 8-hydroxy-7-[(2-hydroxy-2-phenylacetyl)amino]quinoline-5-sulfonic acid dihydrate
| Molecular Formula | C17H18N2O8S |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 0.21 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.0784 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 63680-65-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)NC2=CC(=C3C=CC=NC3=C2O)S(=O)(=O)O)O.O.O |
| InChIKey | GTCIBWZCBUZKJP-UHFFFAOYSA-N |
Product Overview
RefChem:1063409 (CAS 63680-65-9), with molecular formula C17H18N2O8S and molecular weight 410.08 g/mol. IUPAC: 8-hydroxy-7-[(2-hydroxy-2-phenylacetyl)amino]quinoline-5-sulfonic acid;dihydrate.
Chemical Property Profile of RefChem:1063409
Property Insights of RefChem:1063409
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1063409. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:1063409 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063409 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063409?
The CAS number of RefChem:1063409 is 63680-65-9.
What is the molecular formula of RefChem:1063409?
The molecular formula of RefChem:1063409 is C17H18N2O8S.
What is the molecular weight of RefChem:1063409?
The molecular weight of RefChem:1063409 is 410.08 g/mol.
Where can I buy RefChem:1063409?
You can request a quote for RefChem:1063409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063409?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.