o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-
TL;DR: o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- (CAS 29214-99-1) 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-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid
Also Known As: o-(alpha-(2-(Dimethylamino)ethoxy)benzyl)benzoic acid, alpha-(2-(Dimethylamino)ethoxy)-alpha-phenyl-o-toluic acid, o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-, 2-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid, 2-[2-dimethylaminoethyloxy(phenyl)methyl]benzoic acid
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 0.6 |
| 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 | 339.0 |
Chemical Identifiers
| CAS Number | 29214-99-1 |
|---|---|
| SMILES | CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2C(=O)O |
| InChIKey | WUUSQCWWYKMINX-UHFFFAOYSA-N |
Product Overview
o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- (CAS 29214-99-1), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 2-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid.
Chemical Property Profile of o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-
Property Insights of o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-. With a topological polar surface area (TPSA) of 49.8 Ų, o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- 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 o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-?
The CAS number of o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- is 29214-99-1.
What is the molecular formula of o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-?
The molecular formula of o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- is C18H21NO3.
What is the molecular weight of o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-?
The molecular weight of o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- is 299.15 g/mol.
Where can I buy o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-?
You can request a quote for o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.