isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate
TL;DR: isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate (CAS 895824-60-9) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-methyl-2-[(4-oxo-1-phenylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
Also Known As: isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate, isobutyl 4-methyl-2-{[(4-oxo-1-phenyl-1,4-dihydropyridazin-3-yl)carbonyl]amino}-1,3-thiazole-5-carboxylate, 2-methylpropyl (2Z)-4-methyl-2-{[(4-oxo-1-phenyl-1,4-dihydropyridazin-3-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazole-5-carboxylate, 2-methylpropyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-amido)-1,3-thiazole-5-carboxylate, 2-methylpropyl 4-methyl-2-[(4-oxo-1-phenylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.06252 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1089.3607 |
Chemical Identifiers
| CAS Number | 895824-60-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC(=O)C2=NN(C=CC2=O)C3=CC=CC=C3)C(=O)OCC(C)C |
Product Overview
isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate (CAS 895824-60-9), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: 2-methylpropyl 4-methyl-2-[(4-oxo-1-phenylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate
Property Insights of isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate
The XLogP value of 3.06252 indicates that isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate. Following Lipinski's Rule of Five, isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)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 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate?
The CAS number of isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate is 895824-60-9.
What is the molecular formula of isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate?
The molecular formula of isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate is C20H20N4O4S.
What is the molecular weight of isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate?
The molecular weight of isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate is 412.12 g/mol.
Where can I buy isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate?
You can request a quote for isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)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 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl 4-methyl-2-(4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamido)thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.