2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid
TL;DR: 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid (CAS 143954-27-2) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid
Also Known As: BAS 06262329, AJ-292/34007003, 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid, (4-acetyl-1-benzyl-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)acetic acid, 2-[3-acetyl-2-methyl-5-oxo-1-benzyl-2-pyrrolin-4-yl]acetic acid
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 1.9827 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 618.42395 |
Chemical Identifiers
| CAS Number | 143954-27-2 |
|---|---|
| SMILES | CC1=C(C(C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C |
Product Overview
2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid (CAS 143954-27-2), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid.
Chemical Property Profile of 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid
Property Insights of 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid
The XLogP value of 1.9827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid. Following Lipinski's Rule of Five, 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid has 1 hydrogen bond donor(s) and 3 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 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid?
The CAS number of 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid is 143954-27-2.
What is the molecular formula of 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid?
The molecular formula of 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid is C16H17NO4.
What is the molecular weight of 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid?
The molecular weight of 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid is 287.12 g/mol.
Where can I buy 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid?
You can request a quote for 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-acetyl-1-benzyl-5-methyl-2-oxo-3H-pyrrol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.