RefChem:566410
TL;DR: RefChem:566410 (CAS 63123-41-1) is a chemical compound with molecular formula C24H25NO5S and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyethyl)-2-methyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
Also Known As: 1-(allyloxy)-3-isopropoxypropan-2-ol, Benzoxazolium, 3-(2-methoxyethyl)-2-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1), 3- -2-methyl-5-phenylbenzoxazoliump-toluenesulphonate, 3-(2-Methoxyethyl)-2-methyl-5-phenylbenzoxazolium p-toluenesulfonate, 3-(2-methoxyethyl)-2-methyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate
| Molecular Formula | C24H25NO5S |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 4.24 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.14536 |
| Heavy Atoms | 31 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 63123-41-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCOC |
| InChIKey | HMHRSYYUNKHLLK-UHFFFAOYSA-M |
Product Overview
RefChem:566410 (CAS 63123-41-1), with molecular formula C24H25NO5S and molecular weight 439.15 g/mol. IUPAC: 3-(2-methoxyethyl)-2-methyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:566410
Property Insights of RefChem:566410
The XLogP value of 4.24 indicates that RefChem:566410 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:566410. Following Lipinski's Rule of Five, RefChem:566410 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 RefChem:566410?
The CAS number of RefChem:566410 is 63123-41-1.
What is the molecular formula of RefChem:566410?
The molecular formula of RefChem:566410 is C24H25NO5S.
What is the molecular weight of RefChem:566410?
The molecular weight of RefChem:566410 is 439.15 g/mol.
Where can I buy RefChem:566410?
You can request a quote for RefChem:566410 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566410?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566410 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.