3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid
TL;DR: 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid (CAS 83663-23-4) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethyl-2-oxocyclopent-3-en-1-yl)acetic acid
Also Known As: 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid, 2-(3,4-dimethyl-2-oxocyclopent-3-en-1-yl)acetic acid, 3,4-Dimethyl-2-oxo-3-cyclopentene-1-acetic acid, 5-carboxymethyl-2,3-dimethylcyclopent-2-en-1-one, (3,4-Dimethyl-2-oxo-3-cyclopenten-1-yl)acetic acid
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 83663-23-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(C1)CC(=O)O)C |
| InChIKey | TUALNYMHHCUUCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid (CAS 83663-23-4), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 2-(3,4-dimethyl-2-oxocyclopent-3-en-1-yl)acetic acid.
Chemical Property Profile of 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid
Property Insights of 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-2-oxocyclopent-3-enylacetic 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 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid?
The CAS number of 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid is 83663-23-4.
What is the molecular formula of 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid?
The molecular formula of 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid is C9H12O3.
What is the molecular weight of 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid?
The molecular weight of 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid is 168.08 g/mol.
Where can I buy 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid?
You can request a quote for 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-2-oxocyclopent-3-enylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.