Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate
TL;DR: Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate (CAS 63351-46-2) is a chemical compound with molecular formula C13H13ClO5 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate
Also Known As: Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxylate, Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate, Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylate, ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1h-isochromene-7-carboxylate, Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-isochroman-7-carboxylate
| Molecular Formula | C13H13ClO5 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.04517 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 63351-46-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C2CC(OC(=O)C2=C1O)C)Cl |
| InChIKey | JEAZMZADNPGWSC-UHFFFAOYSA-N |
Product Overview
Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate (CAS 63351-46-2), with molecular formula C13H13ClO5 and molecular weight 284.05 g/mol. IUPAC: ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate.
Chemical Property Profile of Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate
Property Insights of Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate
The XLogP value of 4.1 indicates that Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate has 1 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 Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate?
The CAS number of Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate is 63351-46-2.
What is the molecular formula of Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate?
The molecular formula of Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate is C13H13ClO5.
What is the molecular weight of Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate?
The molecular weight of Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate is 284.05 g/mol.
Where can I buy Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate?
You can request a quote for Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.