Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate
TL;DR: Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate (CAS 1213898-72-6) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-3-(2,4-dimethylphenyl)propanoate
Also Known As: methyl 3-amino-3-(2,4-dimethylphenyl)propanoate, AB01331588-02, Methyl (s)-3-amino-3-(2,4-dimethylphenyl)propanoate, Benzenepropanoic acid, b?ta-amino-2,4-dimethyl-, methyl ester (9CI)
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
| SMILES | CC1=CC(=C(C=C1)C(CC(=O)OC)N)C |
| InChIKey | DVOQYEQMVYMSJH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate
Property Insights of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate 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
What is the CAS number of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The CAS number of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate is 1213898-72-6.
What is the molecular formula of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The molecular formula of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate is C12H17NO2.
What is the molecular weight of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
The molecular weight of Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate is 207.12593 g/mol.
Where can I buy Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
You can request a quote for Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-amino-3-(2,4-dimethylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.