![(E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/374/374094-34-5.png)
(E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 374094-34-5) is a chemical compound with molecular formula C25H20ClN3O4S and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2E)-5-(4-chlorophenyl)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2E)-5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C25H20ClN3O4S |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | 2.7983 |
| Topological Polar Surface Area | 80.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 493.0863 |
| Heavy Atoms | 34 |
| Complexity | 1566.555 |
Chemical Identifiers
| CAS Number | 374094-34-5 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C\3/C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=C(C=C5)Cl)/C1=O |
Product Overview
(E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 374094-34-5), with molecular formula C25H20ClN3O4S and molecular weight 493.09 g/mol. IUPAC: methyl (2E)-5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.7983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 80.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-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 (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 374094-34-5.
What is the molecular formula of (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C25H20ClN3O4S.
What is the molecular weight of (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 493.09 g/mol.
Where can I buy (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-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 (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 5-(4-chlorophenyl)-2-(1-ethyl-2-oxoindolin-3-ylidene)-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.