4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin
TL;DR: 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin (CAS 360774-10-3) is a chemical compound with molecular formula C12H10ClNO6 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(2-methoxyethoxy)-7-nitroisochromen-1-one
Also Known As: 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin, 4-chloro-3-(2-methoxyethoxy)-7-nitroisochromen-1-one, 4-chloro-3-(2-methoxyethoxy)-7-nitro-isochromen-1-one, 4-chloro-3-(2-methoxyethoxy)-7-nitro-1H-isochromen-1-one
| Molecular Formula | C12H10ClNO6 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.01965 |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 360774-10-3 |
|---|---|
| SMILES | COCCOC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1)Cl |
| InChIKey | DIZWRSCHLRZXOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin (CAS 360774-10-3), with molecular formula C12H10ClNO6 and molecular weight 299.02 g/mol. IUPAC: 4-chloro-3-(2-methoxyethoxy)-7-nitroisochromen-1-one.
Chemical Property Profile of 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin
Property Insights of 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin. Following Lipinski's Rule of Five, 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin has 0 hydrogen bond donor(s) and 6 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 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin?
The CAS number of 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin is 360774-10-3.
What is the molecular formula of 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin?
The molecular formula of 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin is C12H10ClNO6.
What is the molecular weight of 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin?
The molecular weight of 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin is 299.02 g/mol.
Where can I buy 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin?
You can request a quote for 4-Chloro-3-(2-methoxy-ethoxy)-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 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(2-methoxy-ethoxy)-7-nitro-isocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.