![isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate structure](/static/products/896/896807-84-4.png)
isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate (CAS 896807-84-4) is a chemical compound with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[(6,8-dimethyl-4-oxochromene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate, 2-methylpropyl 2-(6,8-dimethyl-4-oxo-4H-chromene-2-amido)-4-methyl-1,3-thiazole-5-carboxylate, 2-methylpropyl 2-[(6,8-dimethyl-4-oxochromene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate, 2-methylpropyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C21H22N2O5S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 4.23986 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.12494 |
| Heavy Atoms | 29 |
| Complexity | 1159.8232 |
Chemical Identifiers
| CAS Number | 896807-84-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=NC(=C(S3)C(=O)OCC(C)C)C)C |
Product Overview
isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate (CAS 896807-84-4), with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol. IUPAC: 2-methylpropyl 2-[(6,8-dimethyl-4-oxochromene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 4.23986 indicates that isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate 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 isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate 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 isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate is 896807-84-4.
What is the molecular formula of isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate is C21H22N2O5S.
What is the molecular weight of isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate is 414.12 g/mol.
Where can I buy isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl 2-{[(6,8-dimethyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.