CTK0H6241
TL;DR: CTK0H6241 (CAS 118139-95-0) is a chemical compound with molecular formula C21H31NO5S and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[4-[[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]azanium
Also Known As: 4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulfate, sulfonatooxymethane; trimethyl-[4-[(Z)-[(1S,4R)-4,7,7-trimethyl-3-oxo-norbornan-2-ylidene]methyl]phenyl]azanium
| Molecular Formula | C21H31NO5S |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 3.3849 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.1923 |
| Heavy Atoms | 28 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 118139-95-0 |
|---|---|
| SMILES | C[C@@]12CC[C@@H](C1(C)C)C(=CC3=CC=C(C=C3)[N+](C)(C)C)C2=O.COS(=O)(=O)[O-] |
| InChIKey | ZANFQAKBYANGPR-XLCHORMMSA-M |
Product Overview
CTK0H6241 (CAS 118139-95-0), with molecular formula C21H31NO5S and molecular weight 409.19 g/mol. IUPAC: methyl sulfate;trimethyl-[4-[[(1S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]methyl]phenyl]azanium.
Chemical Property Profile of CTK0H6241
Property Insights of CTK0H6241
The XLogP value of 3.3849 indicates that CTK0H6241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK0H6241. Following Lipinski's Rule of Five, CTK0H6241 has 0 hydrogen bond donor(s) and 5 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 CTK0H6241?
The CAS number of CTK0H6241 is 118139-95-0.
What is the molecular formula of CTK0H6241?
The molecular formula of CTK0H6241 is C21H31NO5S.
What is the molecular weight of CTK0H6241?
The molecular weight of CTK0H6241 is 409.19 g/mol.
Where can I buy CTK0H6241?
You can request a quote for CTK0H6241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK0H6241?
Yes, KEHONG BIO provides custom synthesis services for CTK0H6241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.