RefChem:921199
TL;DR: RefChem:921199 (CAS 4244-45-5) is a chemical compound with molecular formula C21H29NO6S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium;methyl sulfate
Also Known As: BW 172C58, BW-172C58, BW172C58, Choline-4-benzoyl-2,6-xylyl ether bromide, 2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium;methyl sulfate
| Molecular Formula | C21H29NO6S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 2.71244 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.17157 |
| Heavy Atoms | 29 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 4244-45-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OCC[N+](C)(C)C)C)C(=O)C2=CC=CC=C2.COS(=O)(=O)[O-] |
| InChIKey | DAXYSIWBVPNUKP-UHFFFAOYSA-M |
Product Overview
RefChem:921199 (CAS 4244-45-5), with molecular formula C21H29NO6S and molecular weight 423.17 g/mol. IUPAC: 2-(4-benzoyl-2,6-dimethylphenoxy)ethyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of RefChem:921199
Property Insights of RefChem:921199
The XLogP value of 2.71244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:921199. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:921199. Following Lipinski's Rule of Five, RefChem:921199 has 0 hydrogen bond donor(s) and 6 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 RefChem:921199?
The CAS number of RefChem:921199 is 4244-45-5.
What is the molecular formula of RefChem:921199?
The molecular formula of RefChem:921199 is C21H29NO6S.
What is the molecular weight of RefChem:921199?
The molecular weight of RefChem:921199 is 423.17 g/mol.
Where can I buy RefChem:921199?
You can request a quote for RefChem:921199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:921199?
Yes, KEHONG BIO provides custom synthesis services for RefChem:921199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.