7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin
TL;DR: 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin (CAS 4229-57-6) is a chemical compound with molecular formula C11H9BrClNO3 and molecular weight 316.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-3-(2-bromoethoxy)-4-chloroisochromen-1-one
Also Known As: Abe-cic, Isocoumarin, 6a, 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin, 7-amino-3-(2-bromoethoxy)-4-chloroisochromen-1-one, 7-Amino-4-chloro-3-(2-bromo-ethoxy)-isocoumarin
| Molecular Formula | C11H9BrClNO3 |
|---|---|
| Molecular Weight | 316.95 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.94543 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 4229-57-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCBr |
| InChIKey | BROYONYUMXAAPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin (CAS 4229-57-6), with molecular formula C11H9BrClNO3 and molecular weight 316.95 g/mol. IUPAC: 7-amino-3-(2-bromoethoxy)-4-chloroisochromen-1-one.
Chemical Property Profile of 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin
Property Insights of 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin. Following Lipinski's Rule of Five, 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin has 1 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 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin?
The CAS number of 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin is 4229-57-6.
What is the molecular formula of 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin?
The molecular formula of 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin is C11H9BrClNO3.
What is the molecular weight of 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin?
The molecular weight of 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin is 316.95 g/mol.
Where can I buy 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin?
You can request a quote for 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.