Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate
TL;DR: Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate (CAS 1289384-53-7) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate
Also Known As: Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate, (S)-METHYL 3-AMINO-2-(3,4-DIMETHOXYPHENYL)PROPANOATE, alpha-(Aminomethyl)-3,4-dimethoxybenzeneacetic acid, methyl ester
Technical Specifications
| Molecular Formula | C12H17NO4 |
| Molecular Weight | 239.11575 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 Da |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
| SMILES | COC1=C(C=C(C=C1)C(CN)C(=O)OC)OC |
| InChIKey | VZMZQIOEJUSLIX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate
Property Insights of Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate has 1 hydrogen bond donor(s) and 5 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-2-(3,4-dimethoxyphenyl)propanoate?
The CAS number of Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate is 1289384-53-7.
What is the molecular formula of Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate?
The molecular formula of Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate is C12H17NO4.
What is the molecular weight of Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate?
The molecular weight of Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate is 239.11575 g/mol.
Where can I buy Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate?
You can request a quote for Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-amino-2-(3,4-dimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.