Methyl 3-(benzyl(methyl)amino)propanoate
TL;DR: Methyl 3-(benzyl(methyl)amino)propanoate (CAS 17946-01-9) 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 3-[benzyl(methyl)amino]propanoate
Also Known As: methyl 3-[benzyl(methyl)amino]propanoate, methyl 3-(benzyl(methyl)amino)propanoate, methyl N-benzyl-N-methyl-beta-alaninate, BAS 00335719, methyl 3-(N-methyl-N-benzylamino)propanoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.6815 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 297.75024 |
Chemical Identifiers
| CAS Number | 17946-01-9 |
|---|---|
| SMILES | CN(CCC(=O)OC)CC1=CC=CC=C1 |
Product Overview
Methyl 3-(benzyl(methyl)amino)propanoate (CAS 17946-01-9), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 3-[benzyl(methyl)amino]propanoate.
Chemical Property Profile of Methyl 3-(benzyl(methyl)amino)propanoate
Property Insights of Methyl 3-(benzyl(methyl)amino)propanoate
The XLogP value of 1.6815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(benzyl(methyl)amino)propanoate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 3-(benzyl(methyl)amino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(benzyl(methyl)amino)propanoate has 0 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 3-(benzyl(methyl)amino)propanoate?
The CAS number of Methyl 3-(benzyl(methyl)amino)propanoate is 17946-01-9.
What is the molecular formula of Methyl 3-(benzyl(methyl)amino)propanoate?
The molecular formula of Methyl 3-(benzyl(methyl)amino)propanoate is C12H17NO2.
What is the molecular weight of Methyl 3-(benzyl(methyl)amino)propanoate?
The molecular weight of Methyl 3-(benzyl(methyl)amino)propanoate is 207.13 g/mol.
Where can I buy Methyl 3-(benzyl(methyl)amino)propanoate?
You can request a quote for Methyl 3-(benzyl(methyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(benzyl(methyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(benzyl(methyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.