Rhoduline Acid
TL;DR: Rhoduline Acid (CAS 87-03-6) is a chemical compound with molecular formula C20H15NO8S2 and molecular weight 461.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid
Also Known As: Rhoduline Acid, Di-J acid, I Acid Imide, J Acid Imide, RW acid
| Molecular Formula | C20H15NO8S2 |
|---|---|
| Molecular Weight | 461.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.0239 |
| Heavy Atoms | 31 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 87-03-6 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=C2C=C1NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | BQVLLTHCZQAJNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rhoduline Acid (CAS 87-03-6), with molecular formula C20H15NO8S2 and molecular weight 461.02 g/mol. IUPAC: 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid.
Chemical Property Profile of Rhoduline Acid
Property Insights of Rhoduline Acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rhoduline Acid. The TPSA of 178.0 Ų indicates high polarity, suggesting Rhoduline Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rhoduline Acid has 5 hydrogen bond donor(s) and 9 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 Rhoduline Acid?
The CAS number of Rhoduline Acid is 87-03-6.
What is the molecular formula of Rhoduline Acid?
The molecular formula of Rhoduline Acid is C20H15NO8S2.
What is the molecular weight of Rhoduline Acid?
The molecular weight of Rhoduline Acid is 461.02 g/mol.
Where can I buy Rhoduline Acid?
You can request a quote for Rhoduline Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhoduline Acid?
Yes, KEHONG BIO provides custom synthesis services for Rhoduline Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.