2-Bromo-benzoic acid 2-diethylamino-ethyl ester
TL;DR: 2-Bromo-benzoic acid 2-diethylamino-ethyl ester (CAS 92104-94-4) is a chemical compound with molecular formula C13H19BrClNO2 and molecular weight 335.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-bromobenzoate;hydrochloride
Also Known As: 2-Bromo-benzoic acid 2-diethylamino-ethyl ester, 2-diethylaminoethyl 2-bromobenzoate hydrochloride, 2-(DIETHYLAMINO)ETHYL 2-BROMOBENZOATE HYDROCHLORIDE
| Molecular Formula | C13H19BrClNO2 |
|---|---|
| Molecular Weight | 335.03 g/mol |
| LogP | 3.3695 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.02878 |
| Heavy Atoms | 18 |
| Complexity | 369.7638 |
Chemical Identifiers
| CAS Number | 92104-94-4 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=CC=C1Br.Cl |
Product Overview
2-Bromo-benzoic acid 2-diethylamino-ethyl ester (CAS 92104-94-4), with molecular formula C13H19BrClNO2 and molecular weight 335.03 g/mol. IUPAC: 2-(diethylamino)ethyl 2-bromobenzoate;hydrochloride.
Chemical Property Profile of 2-Bromo-benzoic acid 2-diethylamino-ethyl ester
Property Insights of 2-Bromo-benzoic acid 2-diethylamino-ethyl ester
The XLogP value of 3.3695 indicates that 2-Bromo-benzoic acid 2-diethylamino-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Bromo-benzoic acid 2-diethylamino-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-benzoic acid 2-diethylamino-ethyl ester 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-Bromo-benzoic acid 2-diethylamino-ethyl ester?
The CAS number of 2-Bromo-benzoic acid 2-diethylamino-ethyl ester is 92104-94-4.
What is the molecular formula of 2-Bromo-benzoic acid 2-diethylamino-ethyl ester?
The molecular formula of 2-Bromo-benzoic acid 2-diethylamino-ethyl ester is C13H19BrClNO2.
What is the molecular weight of 2-Bromo-benzoic acid 2-diethylamino-ethyl ester?
The molecular weight of 2-Bromo-benzoic acid 2-diethylamino-ethyl ester is 335.03 g/mol.
Where can I buy 2-Bromo-benzoic acid 2-diethylamino-ethyl ester?
You can request a quote for 2-Bromo-benzoic acid 2-diethylamino-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-benzoic acid 2-diethylamino-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-benzoic acid 2-diethylamino-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.