2-(Diethylamino)ethyl 2-bromobenzoate
TL;DR: 2-(Diethylamino)ethyl 2-bromobenzoate (CAS 58992-85-1) 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-(diethylamino)ethyl 2-bromobenzoate
Also Known As: 2-(diethylamino)ethyl 2-bromobenzoate, 2-diethylaminoethyl 2-bromobenzoate, Benzoic acid, 2-bromo-, 2-(diethylamino)ethyl ester
| Molecular Formula | C13H18BrNO2 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 2.9477 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.0521 |
| Heavy Atoms | 17 |
| Complexity | 364.19202 |
Chemical Identifiers
| CAS Number | 58992-85-1 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC=C1Br |
Product Overview
2-(Diethylamino)ethyl 2-bromobenzoate (CAS 58992-85-1), with molecular formula C13H18BrNO2 and molecular weight 299.05 g/mol. IUPAC: 2-(diethylamino)ethyl 2-bromobenzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 2-bromobenzoate
Property Insights of 2-(Diethylamino)ethyl 2-bromobenzoate
The XLogP value of 2.9477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)ethyl 2-bromobenzoate. With a topological polar surface area (TPSA) of 29.54 Ų, 2-(Diethylamino)ethyl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 2-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-(Diethylamino)ethyl 2-bromobenzoate?
The CAS number of 2-(Diethylamino)ethyl 2-bromobenzoate is 58992-85-1.
What is the molecular formula of 2-(Diethylamino)ethyl 2-bromobenzoate?
The molecular formula of 2-(Diethylamino)ethyl 2-bromobenzoate is C13H18BrNO2.
What is the molecular weight of 2-(Diethylamino)ethyl 2-bromobenzoate?
The molecular weight of 2-(Diethylamino)ethyl 2-bromobenzoate is 299.05 g/mol.
Where can I buy 2-(Diethylamino)ethyl 2-bromobenzoate?
You can request a quote for 2-(Diethylamino)ethyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.