Ethyl 4-amino-3,5-dibromobenzoate
TL;DR: Ethyl 4-amino-3,5-dibromobenzoate (CAS 58922-06-8) is a chemical compound with molecular formula C9H9Br2NO2 and molecular weight 320.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3,5-dibromobenzoate
Also Known As: ethyl 4-amino-3,5-dibromobenzoate, Benzoic acid, 4-amino-3,5-dibromo-, ethyl ester, Ethyl 4-amino-3,5-dibromo-benzoate, ethyl4-amino-3,5-dibromobenzoate, 4-Amino-3,5-dibromobenzoic acid ethyl ester
| Molecular Formula | C9H9Br2NO2 |
|---|---|
| Molecular Weight | 320.90 g/mol |
| LogP | 2.9705 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.9 |
| Heavy Atoms | 14 |
| Complexity | 342.82474 |
Chemical Identifiers
| CAS Number | 58922-06-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)Br)N)Br |
Product Overview
Ethyl 4-amino-3,5-dibromobenzoate (CAS 58922-06-8), with molecular formula C9H9Br2NO2 and molecular weight 320.90 g/mol. IUPAC: ethyl 4-amino-3,5-dibromobenzoate.
Chemical Property Profile of Ethyl 4-amino-3,5-dibromobenzoate
Property Insights of Ethyl 4-amino-3,5-dibromobenzoate
The XLogP value of 2.9705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3,5-dibromobenzoate. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 4-amino-3,5-dibromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-3,5-dibromobenzoate 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 Ethyl 4-amino-3,5-dibromobenzoate?
The CAS number of Ethyl 4-amino-3,5-dibromobenzoate is 58922-06-8.
What is the molecular formula of Ethyl 4-amino-3,5-dibromobenzoate?
The molecular formula of Ethyl 4-amino-3,5-dibromobenzoate is C9H9Br2NO2.
What is the molecular weight of Ethyl 4-amino-3,5-dibromobenzoate?
The molecular weight of Ethyl 4-amino-3,5-dibromobenzoate is 320.90 g/mol.
Where can I buy Ethyl 4-amino-3,5-dibromobenzoate?
You can request a quote for Ethyl 4-amino-3,5-dibromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-3,5-dibromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3,5-dibromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.