2-(Methylamino)ethyl 2-(bromomethyl)benzoate
TL;DR: 2-(Methylamino)ethyl 2-(bromomethyl)benzoate (CAS 64398-77-2) is a chemical compound with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)ethyl 2-(bromomethyl)benzoate
Also Known As: 2-(Methylamino)ethyl 2-(bromomethyl)benzoate, Arginine,N2-acetyl-3-hydroxy-(9CI), Benzoic acid, 2-(bromomethyl)-, 2-(methylamino)ethyl ester, Benzoic acid,2-(bromomethyl)-, 2-(methylamino)ethyl ester
| Molecular Formula | C11H14BrNO2 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.02078 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 64398-77-2 |
|---|---|
| SMILES | CNCCOC(=O)C1=CC=CC=C1CBr |
| InChIKey | ZNZUVWBXPOGVFJ-UHFFFAOYSA-N |
Product Overview
2-(Methylamino)ethyl 2-(bromomethyl)benzoate (CAS 64398-77-2), with molecular formula C11H14BrNO2 and molecular weight 271.02 g/mol. IUPAC: 2-(methylamino)ethyl 2-(bromomethyl)benzoate.
Chemical Property Profile of 2-(Methylamino)ethyl 2-(bromomethyl)benzoate
Property Insights of 2-(Methylamino)ethyl 2-(bromomethyl)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylamino)ethyl 2-(bromomethyl)benzoate. With a topological polar surface area (TPSA) of 38.3 Ų, 2-(Methylamino)ethyl 2-(bromomethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylamino)ethyl 2-(bromomethyl)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 2-(bromomethyl)benzoate?
The CAS number of 2-(Methylamino)ethyl 2-(bromomethyl)benzoate is 64398-77-2.
What is the molecular formula of 2-(Methylamino)ethyl 2-(bromomethyl)benzoate?
The molecular formula of 2-(Methylamino)ethyl 2-(bromomethyl)benzoate is C11H14BrNO2.
What is the molecular weight of 2-(Methylamino)ethyl 2-(bromomethyl)benzoate?
The molecular weight of 2-(Methylamino)ethyl 2-(bromomethyl)benzoate is 271.02 g/mol.
Where can I buy 2-(Methylamino)ethyl 2-(bromomethyl)benzoate?
You can request a quote for 2-(Methylamino)ethyl 2-(bromomethyl)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 2-(bromomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)ethyl 2-(bromomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.