6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
TL;DR: 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid (CAS 220128-08-5) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)hexanoic acid
Also Known As: 6- HEXANOICACID, TOS-BB-0939, 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid, 1H-Pyrrole-2-carboxaldehyde,5-(methylthio)-, 1H-Pyrrole-1-hexanoicacid, 3-acetyl-2,5-dihydro-4-hydroxy-5-oxo-2-phenyl-
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.616 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 665.2465 |
Chemical Identifiers
| CAS Number | 220128-08-5 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CCCCCC(=O)O)O |
Product Overview
6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid (CAS 220128-08-5), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl)hexanoic acid.
Chemical Property Profile of 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
Property Insights of 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid
The XLogP value of 2.616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid. Following Lipinski's Rule of Five, 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid has 2 hydrogen bond donor(s) and 4 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 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The CAS number of 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is 220128-08-5.
What is the molecular formula of 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The molecular formula of 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is C18H21NO5.
What is the molecular weight of 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
The molecular weight of 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid is 331.14 g/mol.
Where can I buy 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
You can request a quote for 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-acetyl-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.