methyl N-(3,4-dimethylphenyl)glycinate
TL;DR: methyl N-(3,4-dimethylphenyl)glycinate (CAS 126689-84-7) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,4-dimethylanilino)acetate
Also Known As: methyl N-(3,4-dimethylphenyl)glycinate, methyl 2-(3,4-dimethylanilino)acetate, BAS 00844158, N-(3,4-Dimethylphenyl)glycine methyl ester, glycine, n-(3,4-dimethylphenyl)-, methyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 126689-84-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NCC(=O)OC)C |
| InChIKey | QTOKSMSEWAUPCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N-(3,4-dimethylphenyl)glycinate (CAS 126689-84-7), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 2-(3,4-dimethylanilino)acetate.
Chemical Property Profile of methyl N-(3,4-dimethylphenyl)glycinate
Property Insights of methyl N-(3,4-dimethylphenyl)glycinate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(3,4-dimethylphenyl)glycinate. With a topological polar surface area (TPSA) of 38.3 Ų, methyl N-(3,4-dimethylphenyl)glycinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(3,4-dimethylphenyl)glycinate 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-(3,4-dimethylphenyl)glycinate?
The CAS number of methyl N-(3,4-dimethylphenyl)glycinate is 126689-84-7.
What is the molecular formula of methyl N-(3,4-dimethylphenyl)glycinate?
The molecular formula of methyl N-(3,4-dimethylphenyl)glycinate is C11H15NO2.
What is the molecular weight of methyl N-(3,4-dimethylphenyl)glycinate?
The molecular weight of methyl N-(3,4-dimethylphenyl)glycinate is 193.11 g/mol.
Where can I buy methyl N-(3,4-dimethylphenyl)glycinate?
You can request a quote for methyl N-(3,4-dimethylphenyl)glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(3,4-dimethylphenyl)glycinate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(3,4-dimethylphenyl)glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.