N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester
TL;DR: N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester (CAS 56066-86-5) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(dimethylamino)-3,5-dimethylbenzoate
Also Known As: N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester, methyl 4-(dimethylamino)-3,5-dimethylbenzoate, 4-(dimethylamino)-3,5-dimethyl-benzoic acid methyl ester, N,N,2,6-Tetramethylaniline,4-carboxylic acid, methyl ester, RefChem:358547
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 56066-86-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N(C)C)C)C(=O)OC |
| InChIKey | WIJWZUPWOWXGTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester (CAS 56066-86-5), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 4-(dimethylamino)-3,5-dimethylbenzoate.
Chemical Property Profile of N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester
Property Insights of N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester has 0 hydrogen bond donor(s) and 3 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 N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester?
The CAS number of N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester is 56066-86-5.
What is the molecular formula of N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester?
The molecular formula of N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester is C12H17NO2.
What is the molecular weight of N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester?
The molecular weight of N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester is 207.13 g/mol.
Where can I buy N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester?
You can request a quote for N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N,N,2,6-Tetramethylaniline-4-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.