Methyl (+)-7-isojasmonate
TL;DR: Methyl (+)-7-isojasmonate (CAS 95722-42-2) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
Also Known As: methyl epijasmonate, methyl (+)-7-isojasmonate, Methyl jasmonate, (3R,7S)-Methyl jasmonate, methyl 7-epi-jasmonate
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.5011 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 280.90228 |
Chemical Identifiers
| CAS Number | 95722-42-2 |
|---|---|
| SMILES | CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)OC |
Product Overview
Methyl (+)-7-isojasmonate (CAS 95722-42-2), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: methyl 2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.
Chemical Property Profile of Methyl (+)-7-isojasmonate
Property Insights of Methyl (+)-7-isojasmonate
The XLogP value of 2.5011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (+)-7-isojasmonate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl (+)-7-isojasmonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (+)-7-isojasmonate has 0 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 Methyl (+)-7-isojasmonate?
The CAS number of Methyl (+)-7-isojasmonate is 95722-42-2.
What is the molecular formula of Methyl (+)-7-isojasmonate?
The molecular formula of Methyl (+)-7-isojasmonate is C13H20O3.
What is the molecular weight of Methyl (+)-7-isojasmonate?
The molecular weight of Methyl (+)-7-isojasmonate is 224.14 g/mol.
Where can I buy Methyl (+)-7-isojasmonate?
You can request a quote for Methyl (+)-7-isojasmonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (+)-7-isojasmonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (+)-7-isojasmonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.