![2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate structure](/static/products/3898/389840-02-2.webp)
2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate
TL;DR: 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate (CAS 389840-02-2) is a chemical compound with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-bromobenzoate
Also Known As: AB00718531-01, 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate, 2-(3,5-Dimethylanilino)-2-oxoethyl 3-bromobenzoate, [2-(3,5-dimethylanilino)-2-oxoethyl] 3-bromobenzoate
| Molecular Formula | C17H16BrNO3 |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 3.86144 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.03137 |
| Heavy Atoms | 22 |
| Complexity | 692.5503 |
Chemical Identifiers
| CAS Number | 389840-02-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)Br)C |
Product Overview
2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate (CAS 389840-02-2), with molecular formula C17H16BrNO3 and molecular weight 361.03 g/mol. IUPAC: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-bromobenzoate.
Chemical Property Profile of 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate
Property Insights of 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate
The XLogP value of 3.86144 indicates that 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate 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-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate?
The CAS number of 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate is 389840-02-2.
What is the molecular formula of 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate?
The molecular formula of 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate is C17H16BrNO3.
What is the molecular weight of 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate?
The molecular weight of 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate is 361.03 g/mol.
Where can I buy 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate?
You can request a quote for 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 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-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-Dimethylphenyl)amino]-2-oxoethyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.