4-Chloro-3-ethoxy-7-guanidinoisocoumarin
TL;DR: 4-Chloro-3-ethoxy-7-guanidinoisocoumarin (CAS 113251-10-8) is a chemical compound with molecular formula C12H12ClN3O3 and molecular weight 281.05673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-3-ethoxy-1-oxoisochromen-7-yl)guanidine
Also Known As: CEGIC, 4-Chloro-3-ethoxy-7-guanidinoisocoumarin, 2-(4-chloro-3-ethoxy-1-oxoisochromen-7-yl)guanidine, 1-(4-Chloro-3-ethoxy-1-oxo-1H-isochromen-7-yl)guanidine, N-(4-chloro-3-ethoxy-1-oxo-1H-isochromen-7-yl)guanidine
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12ClN3O3 |
| Molecular Weight | 281.05673 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.05673 Da |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
| SMILES | CCOC1=C(C2=C(C=C(C=C2)N=C(N)N)C(=O)O1)Cl |
| InChIKey | YFGMFEAGVQMIFH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin
Property Insights of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-ethoxy-7-guanidinoisocoumarin. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-ethoxy-7-guanidinoisocoumarin. Following Lipinski's Rule of Five, 4-Chloro-3-ethoxy-7-guanidinoisocoumarin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin?
The CAS number of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin is 113251-10-8.
What is the molecular formula of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin?
The molecular formula of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin is C12H12ClN3O3.
What is the molecular weight of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin?
The molecular weight of 4-Chloro-3-ethoxy-7-guanidinoisocoumarin is 281.05673 g/mol.
Where can I buy 4-Chloro-3-ethoxy-7-guanidinoisocoumarin?
You can request a quote for 4-Chloro-3-ethoxy-7-guanidinoisocoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3-ethoxy-7-guanidinoisocoumarin?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3-ethoxy-7-guanidinoisocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.