methyl 3-(N-methylanilino)propanoate
TL;DR: methyl 3-(N-methylanilino)propanoate (CAS 40445-29-2) 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 3-(N-methylanilino)propanoate
Also Known As: methyl 3-(N-methylanilino)propanoate, N-2-carbomethoxyethyl-N-methylaniline, Methyl N-methyl-N-phenyl-beta-alaninate, methyl 3-(methyl(phenyl)amino)propanoate, N-Phenyl-N-methyl-beta-alanine methyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 40445-29-2 |
|---|---|
| SMILES | CN(CCC(=O)OC)C1=CC=CC=C1 |
| InChIKey | CQGQGDWHIPDSIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-(N-methylanilino)propanoate (CAS 40445-29-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 3-(N-methylanilino)propanoate.
Chemical Property Profile of methyl 3-(N-methylanilino)propanoate
Property Insights of methyl 3-(N-methylanilino)propanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(N-methylanilino)propanoate. With a topological polar surface area (TPSA) of 29.5 Ų, methyl 3-(N-methylanilino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(N-methylanilino)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-(N-methylanilino)propanoate?
The CAS number of methyl 3-(N-methylanilino)propanoate is 40445-29-2.
What is the molecular formula of methyl 3-(N-methylanilino)propanoate?
The molecular formula of methyl 3-(N-methylanilino)propanoate is C11H15NO2.
What is the molecular weight of methyl 3-(N-methylanilino)propanoate?
The molecular weight of methyl 3-(N-methylanilino)propanoate is 193.11 g/mol.
Where can I buy methyl 3-(N-methylanilino)propanoate?
You can request a quote for methyl 3-(N-methylanilino)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-(N-methylanilino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(N-methylanilino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.