![methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/6239/623923-24-0.webp)
methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
TL;DR: methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 623923-24-0) is a chemical compound with molecular formula C21H17N3O5S2 and molecular weight 455.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2H-pyrrol-2-yl]benzoate
Also Known As: methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2H-pyrrol-2-yl]benzoate, methyl 4-{3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl}benzoate
| Molecular Formula | C21H17N3O5S2 |
|---|---|
| Molecular Weight | 455.06 g/mol |
| LogP | 3.78594 |
| Topological Polar Surface Area | 109.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.06097 |
| Heavy Atoms | 31 |
| Complexity | 1212.3833 |
Chemical Identifiers
| CAS Number | 623923-24-0 |
|---|---|
| SMILES | CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)OC)C4=NC=CS4)O |
Product Overview
methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 623923-24-0), with molecular formula C21H17N3O5S2 and molecular weight 455.06 g/mol. IUPAC: methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Property Insights of methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 3.78594 indicates that methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.69 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate has 1 hydrogen bond donor(s) and 9 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 methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The CAS number of methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 623923-24-0.
What is the molecular formula of methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular formula of methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C21H17N3O5S2.
What is the molecular weight of methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular weight of methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 455.06 g/mol.
Where can I buy methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
You can request a quote for methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.