Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester
TL;DR: Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester (CAS 73118-22-6) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-3-oxo-2-phenylbutanoate
Also Known As: beta-Acetylmandeloyloxy-beta-phenylethyl dimethylamine, Acetylmandelic acid (2-(dimethylamino)-1-phenyl)ethyl ester, 2-(Dimethylamino)-1-phenylethyl 2-hydroxy-3-oxo-2-phenylbutanoate, Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester, MANDELIC ACID, alpha-ACETYL-, 2-(DIMETHYLAMINO)-1-PHENYLETHYL ESTER
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 73118-22-6 |
|---|---|
| SMILES | CC(=O)C(C1=CC=CC=C1)(C(=O)OC(CN(C)C)C2=CC=CC=C2)O |
| InChIKey | NUSNCQAWMMRWPC-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester (CAS 73118-22-6), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-3-oxo-2-phenylbutanoate.
Chemical Property Profile of Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester
Property Insights of Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester. Following Lipinski's Rule of Five, Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester 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 Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester?
The CAS number of Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester is 73118-22-6.
What is the molecular formula of Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester?
The molecular formula of Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester is C20H23NO4.
What is the molecular weight of Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester?
The molecular weight of Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester is 341.16 g/mol.
Where can I buy Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester?
You can request a quote for Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-acetyl-, 2-(dimethylamino)-1-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.