Benzylidene Camphor Sulfonic Acid
TL;DR: Benzylidene Camphor Sulfonic Acid (CAS 56039-58-8) is a chemical compound with molecular formula C17H20O4S and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzenesulfonic acid
Also Known As: Benzylidene Camphor Sulfonic Acid, 3-(4'-sulfobenzyliden)-bornan-2-on, 4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzenesulfonic acid, 4-((4,7,7-Trimethyl-3-oxobicyclo(2.2.1)hept-2-ylidene)methyl)benzenesulfonic acid, Alpha- (2- oxoborn- 3- ylidene)toluene- 4 sulphonic acid
| Molecular Formula | C17H20O4S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.10822 |
| Heavy Atoms | 22 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 56039-58-8 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)S(=O)(=O)O)C)C |
| InChIKey | KKJKXQYVUVWWJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylidene Camphor Sulfonic Acid (CAS 56039-58-8), with molecular formula C17H20O4S and molecular weight 320.11 g/mol. IUPAC: 4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzenesulfonic acid.
Chemical Property Profile of Benzylidene Camphor Sulfonic Acid
Property Insights of Benzylidene Camphor Sulfonic Acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylidene Camphor Sulfonic Acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylidene Camphor Sulfonic Acid. Following Lipinski's Rule of Five, Benzylidene Camphor Sulfonic Acid has 1 hydrogen bond donor(s) and 4 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 Benzylidene Camphor Sulfonic Acid?
The CAS number of Benzylidene Camphor Sulfonic Acid is 56039-58-8.
What is the molecular formula of Benzylidene Camphor Sulfonic Acid?
The molecular formula of Benzylidene Camphor Sulfonic Acid is C17H20O4S.
What is the molecular weight of Benzylidene Camphor Sulfonic Acid?
The molecular weight of Benzylidene Camphor Sulfonic Acid is 320.11 g/mol.
Where can I buy Benzylidene Camphor Sulfonic Acid?
You can request a quote for Benzylidene Camphor Sulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidene Camphor Sulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for Benzylidene Camphor Sulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.