Ethyl 4-amino-3-bromobenzoate
TL;DR: Ethyl 4-amino-3-bromobenzoate (CAS 107033-10-3) is a chemical compound with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-bromobenzoate
Also Known As: ethyl 4-amino-3-bromobenzoate, 4-Amino-3-bromo-benzoic acid ethyl ester, null, Ethyl4-Amino-3-bromobenzoate, ethyl 4-amino-3-bromo-benzoate
| Molecular Formula | C9H10BrNO2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.98949 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 107033-10-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N)Br |
| InChIKey | NOGUJGZZMMKQOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-amino-3-bromobenzoate (CAS 107033-10-3), with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol. IUPAC: ethyl 4-amino-3-bromobenzoate.
Chemical Property Profile of Ethyl 4-amino-3-bromobenzoate
Property Insights of Ethyl 4-amino-3-bromobenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3-bromobenzoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 4-amino-3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-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 Ethyl 4-amino-3-bromobenzoate?
The CAS number of Ethyl 4-amino-3-bromobenzoate is 107033-10-3.
What is the molecular formula of Ethyl 4-amino-3-bromobenzoate?
The molecular formula of Ethyl 4-amino-3-bromobenzoate is C9H10BrNO2.
What is the molecular weight of Ethyl 4-amino-3-bromobenzoate?
The molecular weight of Ethyl 4-amino-3-bromobenzoate is 242.99 g/mol.
Where can I buy Ethyl 4-amino-3-bromobenzoate?
You can request a quote for Ethyl 4-amino-3-bromobenzoate 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-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.