![Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate structure](/static/products/487/487030-68-2.png)
Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate
TL;DR: Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate (CAS 487030-68-2) is a chemical compound with molecular formula C22H21NO6S and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate
Also Known As: Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate, methyl 4-(4-hydroxy-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-3-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxo-1-(tetrahydrofuran-2-ylmethyl)pyrrolidin-2-yl]benzoate
| Molecular Formula | C22H21NO6S |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 3.292 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.10895 |
| Heavy Atoms | 30 |
| Complexity | 989.1449 |
Chemical Identifiers
| CAS Number | 487030-68-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)C4=CC=CS4 |
Product Overview
Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate (CAS 487030-68-2), with molecular formula C22H21NO6S and molecular weight 427.11 g/mol. IUPAC: methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate
Property Insights of Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate
The XLogP value of 3.292 indicates that Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate has 1 hydrogen bond donor(s) and 7 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-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate?
The CAS number of Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate is 487030-68-2.
What is the molecular formula of Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate?
The molecular formula of Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate is C22H21NO6S.
What is the molecular weight of Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate?
The molecular weight of Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate is 427.11 g/mol.
Where can I buy Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate?
You can request a quote for Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-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-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-hydroxy-5-oxo-1-(oxolan-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.