methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate
TL;DR: methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate (CAS 684232-11-9) is a chemical compound with molecular formula C21H14N2O5S and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate
Also Known As: methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate, Methyl 4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate, F1166-0060, methyl 4-{[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]carbamoyl}benzoate
| Molecular Formula | C21H14N2O5S |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 3.9554 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.06235 |
| Heavy Atoms | 29 |
| Complexity | 1274.2261 |
Chemical Identifiers
| CAS Number | 684232-11-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate (CAS 684232-11-9), with molecular formula C21H14N2O5S and molecular weight 406.06 g/mol. IUPAC: methyl 4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]benzoate.
Chemical Property Profile of methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate
Property Insights of methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate
The XLogP value of 3.9554 indicates that methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)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 methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate?
The CAS number of methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate is 684232-11-9.
What is the molecular formula of methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate?
The molecular formula of methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate is C21H14N2O5S.
What is the molecular weight of methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate?
The molecular weight of methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate is 406.06 g/mol.
Where can I buy methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate?
You can request a quote for methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.