![4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid structure](/static/products/824/824973-47-9.png)
4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid
TL;DR: 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid (CAS 824973-47-9) is a chemical compound with molecular formula C18H18BrNO5 and molecular weight 407.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid
Also Known As: 4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid, 4-(benzylcarbamoylmethoxy)-2-bromo-5-ethoxy-benzoic Acid, 4-(2-(benzylamino)-2-oxoethoxy)-2-bromo-5-ethoxybenzoic acid
| Molecular Formula | C18H18BrNO5 |
|---|---|
| Molecular Weight | 407.04 g/mol |
| LogP | 3.2412 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.03683 |
| Heavy Atoms | 25 |
| Complexity | 748.6317 |
Chemical Identifiers
| CAS Number | 824973-47-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)C(=O)O)Br)OCC(=O)NCC2=CC=CC=C2 |
Product Overview
4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid (CAS 824973-47-9), with molecular formula C18H18BrNO5 and molecular weight 407.04 g/mol. IUPAC: 4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid.
Chemical Property Profile of 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid
Property Insights of 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid
The XLogP value of 3.2412 indicates that 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid. Following Lipinski's Rule of Five, 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid has 2 hydrogen bond donor(s) and 4 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 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid?
The CAS number of 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid is 824973-47-9.
What is the molecular formula of 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid?
The molecular formula of 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid is C18H18BrNO5.
What is the molecular weight of 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid?
The molecular weight of 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid is 407.04 g/mol.
Where can I buy 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid?
You can request a quote for 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Benzylamino)-2-oxoethoxy]-2-bromo-5-ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.