RefChem:1061775
TL;DR: RefChem:1061775 (CAS 16502-63-9) is a chemical compound with molecular formula C20H26ClNO4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylsulfonyl-2,2-diphenylacetyl)oxyethyl-dimethylazanium chloride
Also Known As: Diphenyl(ethylsulfonyl)acetic acid 2-(dimethylamino)ethyl ester hydrochloride, 2-Dimethylaminoethyl 2,2-diphenyl-2-ethylsulfonylacetate hydrochloride, Acetic acid, diphenyl(ethylsulfonyl)-, 2-(dimethylamino)ethyl ester, hydrochloride, 2-(2-ethylsulfonyl-2,2-diphenylacetyl)oxyethyl-dimethylazanium chloride, 2-(Dimethylamino)ethyl (ethanesulfonyl)(diphenyl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C20H26ClNO4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | -1.94 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.1271 |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 16502-63-9 |
|---|---|
| SMILES | CCS(=O)(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | DPXQVYSYOIPIBU-UHFFFAOYSA-N |
Product Overview
RefChem:1061775 (CAS 16502-63-9), with molecular formula C20H26ClNO4S and molecular weight 411.13 g/mol. IUPAC: 2-(2-ethylsulfonyl-2,2-diphenylacetyl)oxyethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1061775
Property Insights of RefChem:1061775
The XLogP value of -1.94 indicates that RefChem:1061775 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1061775. Following Lipinski's Rule of Five, RefChem:1061775 has 1 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:1061775?
The CAS number of RefChem:1061775 is 16502-63-9.
What is the molecular formula of RefChem:1061775?
The molecular formula of RefChem:1061775 is C20H26ClNO4S.
What is the molecular weight of RefChem:1061775?
The molecular weight of RefChem:1061775 is 411.13 g/mol.
Where can I buy RefChem:1061775?
You can request a quote for RefChem:1061775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061775?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.