![Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/612/612079-94-4.png)
Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 612079-94-4) is a chemical compound with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-(4-methoxycarbonylphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-2-[4-(methoxycarbonyl)benzylidene]-5-[4-(methoxycarbonyl)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 644-533-2, METHYL (2Z)-2-(4-(METHOXYCARBONYL)BENZYLIDENE)-5-(4-(METHOXYCARBONYL)PHENYL)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARBOXYLATE, methyl (2Z)-5-(4-methoxycarbonylphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H22N2O7S |
|---|---|
| Molecular Weight | 506.11 g/mol |
| LogP | 1.9814 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.11478 |
| Heavy Atoms | 36 |
| Complexity | 1562.1151 |
Chemical Identifiers
| CAS Number | 612079-94-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/SC2=N1)C4=CC=C(C=C4)C(=O)OC)C(=O)OC |
Product Overview
Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 612079-94-4), with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol. IUPAC: methyl (2Z)-5-(4-methoxycarbonylphenyl)-2-[(4-methoxycarbonylphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 1.9814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 612079-94-4.
What is the molecular formula of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C26H22N2O7S.
What is the molecular weight of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 506.11 g/mol.
Where can I buy Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-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 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-(methoxycarbonyl)benzylidene)-5-(4-(methoxycarbonyl)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.