![2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate structure](/static/products/860/860614-76-2.png)
2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate
TL;DR: 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate (CAS 860614-76-2) is a chemical compound with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl(propan-2-yl)amino]ethyl 3-bromobenzoate
Also Known As: 2-[methyl(propan-2-yl)amino]ethyl 3-bromobenzoate, AO-365/15162151, 2-(isopropyl(methyl)amino)ethyl 3-bromobenzoate, 2-[isopropyl(methyl)amino]ethyl 3-bromobenzoate
| Molecular Formula | C13H18BrNO2 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 2.9461 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0521 |
| Heavy Atoms | 17 |
| Complexity | 379.43713 |
Chemical Identifiers
| CAS Number | 860614-76-2 |
|---|---|
| SMILES | CC(C)N(C)CCOC(=O)C1=CC(=CC=C1)Br |
Product Overview
2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate (CAS 860614-76-2), with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol. IUPAC: 2-[methyl(propan-2-yl)amino]ethyl 3-bromobenzoate.
Chemical Property Profile of 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate
Property Insights of 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate
The XLogP value of 2.9461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate 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 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate?
The CAS number of 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate is 860614-76-2.
What is the molecular formula of 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate?
The molecular formula of 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate is C13H18BrNO2.
What is the molecular weight of 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate?
The molecular weight of 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate is 299.05 g/mol.
Where can I buy 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate?
You can request a quote for 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[Methyl(propan-2-yl)amino]ethyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.