3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin
TL;DR: 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin (CAS 141468-73-7) is a chemical compound with molecular formula C11H7BrClNO5 and molecular weight 346.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromoethoxy)-4-chloro-7-nitroisochromen-1-one
Also Known As: Isocoumarin, 4a, 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin, 3-(2-bromoethoxy)-4-chloro-7-nitro-isochromen-1-one, 3-(2-bromoethoxy)-4-chloro-7-nitroisochromen-1-one, 1H-2-Benzopyran-1-one, 3-(2-bromoethoxy)-4-chloro-7-nitro-
| Molecular Formula | C11H7BrClNO5 |
|---|---|
| Molecular Weight | 346.92 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.91962 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 141468-73-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=C2Cl)OCCBr |
| InChIKey | DDUAKHHLOGEYAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin (CAS 141468-73-7), with molecular formula C11H7BrClNO5 and molecular weight 346.92 g/mol. IUPAC: 3-(2-bromoethoxy)-4-chloro-7-nitroisochromen-1-one.
Chemical Property Profile of 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin
Property Insights of 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin
The XLogP value of 3.0 indicates that 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin. Following Lipinski's Rule of Five, 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin has 0 hydrogen bond donor(s) and 5 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 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin?
The CAS number of 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin is 141468-73-7.
What is the molecular formula of 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin?
The molecular formula of 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin is C11H7BrClNO5.
What is the molecular weight of 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin?
The molecular weight of 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin is 346.92 g/mol.
Where can I buy 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin?
You can request a quote for 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromo-ethoxy)-4-chloro-7-nitro-isocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.