(3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
TL;DR: (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid (CAS 77026-92-7) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid
Also Known As: Jasmonic acid, (+/-)-Jasmonic acid, (-)-Jasmonic acid, 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid, 3-(Carboxymethyl)-2-(2-pentenyl)cyclopentanone
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 77026-92-7 |
|---|---|
| SMILES | CCC=CCC1C(CCC1=O)CC(=O)O |
| InChIKey | ZNJFBWYDHIGLCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid (CAS 77026-92-7), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid.
Chemical Property Profile of (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
Property Insights of (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid. With a topological polar surface area (TPSA) of 54.4 Ų, (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)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 (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid?
The CAS number of (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid is 77026-92-7.
What is the molecular formula of (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid?
The molecular formula of (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid is C12H18O3.
What is the molecular weight of (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid?
The molecular weight of (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid is 210.13 g/mol.
Where can I buy (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid?
You can request a quote for (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Oxo-2-(pent-2-en-1-yl)cyclopentyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.