Calconcarboxylic acid
TL;DR: Calconcarboxylic acid (CAS 3737-95-9) is a chemical compound with molecular formula C21H14N2O7S and molecular weight 438.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Calconcarboxylic acid
3-hydroxy-4-[(2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-carboxylic acid
Also Known As: Calconcarboxylic acid, Calconcarbonic acid, Patton-Reeder indicator, Kalces, Cal Red
| Molecular Formula | C21H14N2O7S |
|---|---|
| Molecular Weight | 438.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.0522 |
| Heavy Atoms | 31 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 3737-95-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O)C(=O)O |
| InChIKey | MVQBFZXBLLMXGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calconcarboxylic acid (CAS 3737-95-9), with molecular formula C21H14N2O7S and molecular weight 438.05 g/mol. IUPAC: 3-hydroxy-4-[(2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-carboxylic acid.
Chemical Property Profile of Calconcarboxylic acid
Property Insights of Calconcarboxylic acid
The XLogP value of 4.3 indicates that Calconcarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Calconcarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calconcarboxylic acid has 4 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 Calconcarboxylic acid?
The CAS number of Calconcarboxylic acid is 3737-95-9.
What is the molecular formula of Calconcarboxylic acid?
The molecular formula of Calconcarboxylic acid is C21H14N2O7S.
What is the molecular weight of Calconcarboxylic acid?
The molecular weight of Calconcarboxylic acid is 438.05 g/mol.
Where can I buy Calconcarboxylic acid?
You can request a quote for Calconcarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calconcarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Calconcarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.