Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester
TL;DR: Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester (CAS 67465-38-7) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2-phenylacetate
Also Known As: beta-Mandeloyloxy-beta-phenylethyl dimethylamine, MANDELIC ACID, (2-(DIMETHYLAMINO)-1-PHENYL)ETHYL ESTER, 2-(dimethylamino)-1-phenylethyl hydroxy(phenyl)acetate, 2-(dimethylamino)-1-phenylethyl 2-hydroxy-2-phenylacetate, [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2-phenylacetate
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 67465-38-7 |
|---|---|
| SMILES | CN(C)CC(C1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)O |
| InChIKey | LNNYTUMZCUHLOO-UHFFFAOYSA-N |
Product Overview
Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester (CAS 67465-38-7), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester
Property Insights of Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester has 1 hydrogen bond donor(s) and 4 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, (2-(dimethylamino)-1-phenyl)ethyl ester?
The CAS number of Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester is 67465-38-7.
What is the molecular formula of Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester?
The molecular formula of Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester is C18H21NO3.
What is the molecular weight of Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester?
The molecular weight of Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester is 299.15 g/mol.
Where can I buy Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester?
You can request a quote for Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl 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, (2-(dimethylamino)-1-phenyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.