2-(Methylamino)ethyl benzoate
TL;DR: 2-(Methylamino)ethyl benzoate (CAS 48135-02-0) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)ethyl benzoate
Also Known As: 2-(methylamino)ethyl benzoate, Benzoic acid 2-(methylamino)ethyl ester, ethanol, 2- (methylamino) - , 1- benzoate, J1.346.862A
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 48135-02-0 |
|---|---|
| SMILES | CNCCOC(=O)C1=CC=CC=C1 |
| InChIKey | VYNUODAHYVPCCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylamino)ethyl benzoate (CAS 48135-02-0), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 2-(methylamino)ethyl benzoate.
Chemical Property Profile of 2-(Methylamino)ethyl benzoate
Property Insights of 2-(Methylamino)ethyl benzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)ethyl benzoate. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(Methylamino)ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)ethyl benzoate 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 2-(Methylamino)ethyl benzoate?
The CAS number of 2-(Methylamino)ethyl benzoate is 48135-02-0.
What is the molecular formula of 2-(Methylamino)ethyl benzoate?
The molecular formula of 2-(Methylamino)ethyl benzoate is C10H13NO2.
What is the molecular weight of 2-(Methylamino)ethyl benzoate?
The molecular weight of 2-(Methylamino)ethyl benzoate is 179.09 g/mol.
Where can I buy 2-(Methylamino)ethyl benzoate?
You can request a quote for 2-(Methylamino)ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.