![Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6998/6998-31-8.webp)
Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-31-8) is a chemical compound with molecular formula C26H26N2O3S3 and molecular weight 510.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl 7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C26H26N2O3S3 |
|---|---|
| Molecular Weight | 510.11 g/mol |
| LogP | 4.6306 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.11057 |
| Heavy Atoms | 34 |
| Complexity | 1415.9043 |
Chemical Identifiers
| CAS Number | 6998-31-8 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)SC)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC(C)C |
Product Overview
Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-31-8), with molecular formula C26H26N2O3S3 and molecular weight 510.11 g/mol. IUPAC: propan-2-yl 7-methyl-5-(4-methylsulfanylphenyl)-2-[(4-methylsulfanylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 4.6306 indicates that Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 6998-31-8.
What is the molecular formula of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C26H26N2O3S3.
What is the molecular weight of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 510.11 g/mol.
Where can I buy Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-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 Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 7-methyl-5-[4-(methylsulfanyl)phenyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-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.