RefChem:565639
TL;DR: RefChem:565639 (CAS 68003-34-9) is a chemical compound with molecular formula C17H13NO12S3 and molecular weight 518.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)sulfamoyl]benzoic acid
Also Known As: 5-[[amino]sulphonyl]salicylicacid, 5-[[ amino]sulphonyl]salicylicacid, Benzoic acid, 2-hydroxy-5-[[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]sulfonyl]-, 2-hydroxy-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)sulfamoyl]benzoic acid, 5-(3'-Carboxy-4'-hydroxybenzenesulfonamido)-4-hydroxy-2,7-naphthalenedisulfonic acid
| Molecular Formula | C17H13NO12S3 |
|---|---|
| Molecular Weight | 518.96 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.95996 |
| Heavy Atoms | 33 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 68003-34-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)O)O |
| InChIKey | SUPLBSNCTGFNKZ-UHFFFAOYSA-N |
Product Overview
RefChem:565639 (CAS 68003-34-9), with molecular formula C17H13NO12S3 and molecular weight 518.96 g/mol. IUPAC: 2-hydroxy-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)sulfamoyl]benzoic acid.
Chemical Property Profile of RefChem:565639
Property Insights of RefChem:565639
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:565639. The TPSA of 258.0 Ų indicates high polarity, suggesting RefChem:565639 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565639 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:565639?
The CAS number of RefChem:565639 is 68003-34-9.
What is the molecular formula of RefChem:565639?
The molecular formula of RefChem:565639 is C17H13NO12S3.
What is the molecular weight of RefChem:565639?
The molecular weight of RefChem:565639 is 518.96 g/mol.
Where can I buy RefChem:565639?
You can request a quote for RefChem:565639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565639?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.