Methyl 2-methyl-3-(phenethylamino)propanoate
TL;DR: Methyl 2-methyl-3-(phenethylamino)propanoate (CAS 6958-40-3) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-(2-phenylethylamino)propanoate
Also Known As: methyl 2-methyl-3-[(2-phenylethyl)amino]propanoate, starbld0028958, methyl 2-methyl-3-(phenethylamino)propanoate, methyl 2-methyl-3-(2-phenylethylamino)propanoate, 2-Methyl-3-(phenethylamino)propanoic acid methyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 6958-40-3 |
|---|---|
| SMILES | CC(CNCCC1=CC=CC=C1)C(=O)OC |
| InChIKey | KKHGLVXWFXAALZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-methyl-3-(phenethylamino)propanoate (CAS 6958-40-3), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: methyl 2-methyl-3-(2-phenylethylamino)propanoate.
Chemical Property Profile of Methyl 2-methyl-3-(phenethylamino)propanoate
Property Insights of Methyl 2-methyl-3-(phenethylamino)propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-3-(phenethylamino)propanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 2-methyl-3-(phenethylamino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-3-(phenethylamino)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
Frequently Asked Questions
What is the CAS number of Methyl 2-methyl-3-(phenethylamino)propanoate?
The CAS number of Methyl 2-methyl-3-(phenethylamino)propanoate is 6958-40-3.
What is the molecular formula of Methyl 2-methyl-3-(phenethylamino)propanoate?
The molecular formula of Methyl 2-methyl-3-(phenethylamino)propanoate is C13H19NO2.
What is the molecular weight of Methyl 2-methyl-3-(phenethylamino)propanoate?
The molecular weight of Methyl 2-methyl-3-(phenethylamino)propanoate is 221.14 g/mol.
Where can I buy Methyl 2-methyl-3-(phenethylamino)propanoate?
You can request a quote for Methyl 2-methyl-3-(phenethylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-3-(phenethylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-3-(phenethylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.