![methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/312/312937-45-4.png)
methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 312937-45-4) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-methyl 5-(4-acetoxyphenyl)-7-methyl-2-(4-methylbenzylidene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, METHYL (2Z)-5-[4-(ACETYLOXY)PHENYL]-7-METHYL-2-[(4-METHYLPHENYL)METHYLIDENE]-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 2.64192 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1444.3915 |
Chemical Identifiers
| CAS Number | 312937-45-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C\2/C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)OC(=O)C |
Product Overview
methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 312937-45-4), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: methyl (2Z)-5-(4-acetyloxyphenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.64192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 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 (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 312937-45-4.
What is the molecular formula of methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C25H22N2O5S.
What is the molecular weight of methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 462.12 g/mol.
Where can I buy methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.