![Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/6998/6998-16-9.webp)
Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-16-9) is a chemical compound with molecular formula C44H40N4O6S and molecular weight 752.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, BENZYL 2-(4-METHOXYCARBONYLPHENYL)-4-METHYL-8-[[3-[4-(3-METHYLBUTOXY)PHENYL]-1-PHENYL-PYRAZOL-4-YL]METHYLIDENE]-9-OXO-7-THIA-1,5-DIAZABICYCLO[4.3.0]NONA-3,5-DIENE-3-CARBOXYLATE, benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C44H40N4O6S |
|---|---|
| Molecular Weight | 752.27 g/mol |
| LogP | 7.0428 |
| Topological Polar Surface Area | 114.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 752.26685 |
| Heavy Atoms | 55 |
| Complexity | 2535.384 |
Chemical Identifiers
| CAS Number | 6998-16-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCCC(C)C)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)C(=O)OC)C(=O)OCC7=CC=CC=C7 |
Product Overview
Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 6998-16-9), with molecular formula C44H40N4O6S and molecular weight 752.27 g/mol. IUPAC: benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-[4-(3-methylbutoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 7.0428 indicates that Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}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 114.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]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 Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 6998-16-9.
What is the molecular formula of Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C44H40N4O6S.
What is the molecular weight of Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 752.27 g/mol.
Where can I buy Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}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 Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-[4-(methoxycarbonyl)phenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}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.