Methyl N-(2,6-dimethylphenyl)-DL-alaninate
TL;DR: Methyl N-(2,6-dimethylphenyl)-DL-alaninate (CAS 52888-49-0) 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 2-(2,6-dimethylanilino)propanoate
Also Known As: Methyl 2-((2,6-dimethylphenyl)amino)propanoate, Methyl N-(2,6-dimethylphenyl)-DL-alaninate, methylN- -DL-alaninate, methyl 2-(2,6-dimethylanilino)propanoate, methyl n-(2,6-dimethylphenyl)alaninate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 52888-49-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(C)C(=O)OC |
| InChIKey | NEOYGRJJOGVQPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-(2,6-dimethylphenyl)-DL-alaninate (CAS 52888-49-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 2-(2,6-dimethylanilino)propanoate.
Chemical Property Profile of Methyl N-(2,6-dimethylphenyl)-DL-alaninate
Property Insights of Methyl N-(2,6-dimethylphenyl)-DL-alaninate
The XLogP value of 3.0 indicates that Methyl N-(2,6-dimethylphenyl)-DL-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl N-(2,6-dimethylphenyl)-DL-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(2,6-dimethylphenyl)-DL-alaninate has 1 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 Methyl N-(2,6-dimethylphenyl)-DL-alaninate?
The CAS number of Methyl N-(2,6-dimethylphenyl)-DL-alaninate is 52888-49-0.
What is the molecular formula of Methyl N-(2,6-dimethylphenyl)-DL-alaninate?
The molecular formula of Methyl N-(2,6-dimethylphenyl)-DL-alaninate is C12H17NO2.
What is the molecular weight of Methyl N-(2,6-dimethylphenyl)-DL-alaninate?
The molecular weight of Methyl N-(2,6-dimethylphenyl)-DL-alaninate is 207.13 g/mol.
Where can I buy Methyl N-(2,6-dimethylphenyl)-DL-alaninate?
You can request a quote for Methyl N-(2,6-dimethylphenyl)-DL-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(2,6-dimethylphenyl)-DL-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(2,6-dimethylphenyl)-DL-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.