3,7-Didehydrojasmonic acid
TL;DR: 3,7-Didehydrojasmonic acid (CAS 120282-76-0) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]acetic acid
Also Known As: 1,2-Didehydrojasmonic acid, 3,7-didehydrojasmonic acid, 3-Oxo-2-[(Z)-2-pentenyl]cyclopentene-1-acetic acid, 3-Oxo-2-(2Z)-2-penten-1-yl-1-cyclopentene-1-acetic acid, 2-[3-oxo-2-[(Z)-pent-2-enyl]-1-cyclopentenyl]acetic Acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.4769 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 323.75894 |
Chemical Identifiers
| CAS Number | 120282-76-0 |
|---|---|
| SMILES | CC/C=C\CC1=C(CCC1=O)CC(=O)O |
Product Overview
3,7-Didehydrojasmonic acid (CAS 120282-76-0), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]acetic acid.
Chemical Property Profile of 3,7-Didehydrojasmonic acid
Property Insights of 3,7-Didehydrojasmonic acid
The XLogP value of 2.4769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Didehydrojasmonic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3,7-Didehydrojasmonic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Didehydrojasmonic 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 3,7-Didehydrojasmonic acid?
The CAS number of 3,7-Didehydrojasmonic acid is 120282-76-0.
What is the molecular formula of 3,7-Didehydrojasmonic acid?
The molecular formula of 3,7-Didehydrojasmonic acid is C12H16O3.
What is the molecular weight of 3,7-Didehydrojasmonic acid?
The molecular weight of 3,7-Didehydrojasmonic acid is 208.11 g/mol.
Where can I buy 3,7-Didehydrojasmonic acid?
You can request a quote for 3,7-Didehydrojasmonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Didehydrojasmonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Didehydrojasmonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.