(5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid
TL;DR: (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid (CAS 78977-89-6) is a chemical compound with molecular formula C14H14O3 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)-5-oxocyclopenten-1-yl]acetic acid
Also Known As: (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid, 2-(5-Oxo-2-(p-tolyl)cyclopent-1-en-1-yl)acetic acid, BAS 03633926, 2-[2-(4-methylphenyl)-5-oxocyclopenten-1-yl]acetic acid, [2-(4-methylphenyl)-5-oxocyclopent-1-en-1-yl]acetic acid
| Molecular Formula | C14H14O3 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 2.58622 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0943 |
| Heavy Atoms | 17 |
| Complexity | 494.70352 |
Chemical Identifiers
| CAS Number | 78977-89-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=O)CC2)CC(=O)O |
Product Overview
(5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid (CAS 78977-89-6), with molecular formula C14H14O3 and molecular weight 230.09 g/mol. IUPAC: 2-[2-(4-methylphenyl)-5-oxocyclopenten-1-yl]acetic acid.
Chemical Property Profile of (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid
Property Insights of (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid
The XLogP value of 2.58622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid. With a topological polar surface area (TPSA) of 54.37 Ų, (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid has 1 hydrogen bond donor(s) and 2 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 (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid?
The CAS number of (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid is 78977-89-6.
What is the molecular formula of (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid?
The molecular formula of (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid is C14H14O3.
What is the molecular weight of (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid?
The molecular weight of (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid is 230.09 g/mol.
Where can I buy (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid?
You can request a quote for (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Oxo-2-p-tolyl-cyclopent-1-enyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.