![benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6205/620552-66-1.webp)
benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 620552-66-1) is a chemical compound with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,7-dimethyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, benzyl 2,7-dimethyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, benzyl 2,7dimethyl5[4(methylthio)phenyl]3oxo2,3dihydro5h[1,3]thiazolo[3,2a]pyrimidine6carboxylate
| Molecular Formula | C23H22N2O3S2 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 4.8005 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.10718 |
| Heavy Atoms | 30 |
| Complexity | 1032.1736 |
Chemical Identifiers
| CAS Number | 620552-66-1 |
|---|---|
| SMILES | CC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)SC |
Product Overview
benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 620552-66-1), with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol. IUPAC: benzyl 2,7-dimethyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 4.8005 indicates that benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.97 Ų, benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 6 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 benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 620552-66-1.
What is the molecular formula of benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C23H22N2O3S2.
What is the molecular weight of benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 438.11 g/mol.
Where can I buy benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,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 benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2,7-dimethyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.