4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate
TL;DR: 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate (CAS 52793-97-2) is a chemical compound with molecular formula C21H31NO4S and molecular weight 393.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonate;trimethyl-[4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium
Also Known As: 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate
| Molecular Formula | C21H31NO4S |
|---|---|
| Molecular Weight | 393.20 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.1974 |
| Heavy Atoms | 27 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 52793-97-2 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)[N+](C)(C)C)C)C.CS(=O)(=O)[O-] |
| InChIKey | BPDGKTMMBDRVHQ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate (CAS 52793-97-2), with molecular formula C21H31NO4S and molecular weight 393.20 g/mol. IUPAC: methanesulfonate;trimethyl-[4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium.
Chemical Property Profile of 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate
Property Insights of 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate
The XLogP value of 3.45 indicates that 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate. Following Lipinski's Rule of Five, 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate has 0 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 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate?
The CAS number of 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate is 52793-97-2.
What is the molecular formula of 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate?
The molecular formula of 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate is C21H31NO4S.
What is the molecular weight of 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate?
The molecular weight of 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate is 393.20 g/mol.
Where can I buy 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate?
You can request a quote for 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Oxo-3-bornylidenemethyl)phenyl trimethylammonium methylsulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.