methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 575470-98-3) is a chemical compound with molecular formula C21H21NO7S and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate
Also Known As: methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate, METHYL 4-[4-HYDROXY-1-[2-(2-HYDROXYETHOXY)ETHYL]-5-OXO-3-(2-THIENYLCARBONYL)-2,5-DIHYDRO-1H-PYRROL-2-YL]BENZOATE, methyl 4-[4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate, methyl 4-{(3E)-1-[2-(2-hydroxyethoxy)ethyl]-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
| Molecular Formula | C21H21NO7S |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 2.1219 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 431.10388 |
| Heavy Atoms | 30 |
| Complexity | 950.2443 |
Chemical Identifiers
| CAS Number | 575470-98-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)C3=CC=CS3 |
Product Overview
methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 575470-98-3), with molecular formula C21H21NO7S and molecular weight 431.10 g/mol. IUPAC: methyl 4-[4-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 2.1219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 2 hydrogen bond donor(s) and 8 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-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 575470-98-3.
What is the molecular formula of methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C21H21NO7S.
What is the molecular weight of methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 431.10 g/mol.
Where can I buy methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-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-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-oxo-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.