Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate
TL;DR: Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate (CAS 833430-71-0) is a chemical compound with molecular formula C24H22N2O5S and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-1,3-thiazol-5-yl]methyl]benzoate
Also Known As: F1762-0580, ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate, ethyl 4-[[2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-1,3-thiazol-5-yl]methyl]benzoate, ethyl 4-{[2-(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)-1,3-thiazol-5-yl]methyl}benzoate, ethyl 4-({2-[(3-methyl-1-oxoisochroman-3-yl)carbonylamino]-1,3-thiazol-5-yl}me thyl)benzoate
| Molecular Formula | C24H22N2O5S |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 4.0209 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.12494 |
| Heavy Atoms | 32 |
| Complexity | 1171.1425 |
Chemical Identifiers
| CAS Number | 833430-71-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C |
Product Overview
Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate (CAS 833430-71-0), with molecular formula C24H22N2O5S and molecular weight 450.12 g/mol. IUPAC: ethyl 4-[[2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-1,3-thiazol-5-yl]methyl]benzoate.
Chemical Property Profile of Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate
Property Insights of Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate
The XLogP value of 4.0209 indicates that Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate has 1 hydrogen bond donor(s) and 7 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 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate?
The CAS number of Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate is 833430-71-0.
What is the molecular formula of Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate?
The molecular formula of Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate is C24H22N2O5S.
What is the molecular weight of Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate?
The molecular weight of Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate is 450.12 g/mol.
Where can I buy Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate?
You can request a quote for Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-(3-methyl-1-oxoisochroman-3-carboxamido)thiazol-5-yl)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.