Methyl dihydrojasmonate, trans-(-)-
TL;DR: Methyl dihydrojasmonate, trans-(-)- (CAS 80450-69-7) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate
Also Known As: Methyl dihydrojasmonate, Hedione, trans-(-)-Hedione, Kharismal, Hedion
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.7251 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 247.56226 |
Chemical Identifiers
| CAS Number | 80450-69-7 |
|---|---|
| SMILES | CCCCC[C@@H]1[C@H](CCC1=O)CC(=O)OC |
Product Overview
Methyl dihydrojasmonate, trans-(-)- (CAS 80450-69-7), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: methyl 2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate.
Chemical Property Profile of Methyl dihydrojasmonate, trans-(-)-
Property Insights of Methyl dihydrojasmonate, trans-(-)-
The XLogP value of 2.7251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl dihydrojasmonate, trans-(-)-. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl dihydrojasmonate, trans-(-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl dihydrojasmonate, trans-(-)- 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 dihydrojasmonate, trans-(-)-?
The CAS number of Methyl dihydrojasmonate, trans-(-)- is 80450-69-7.
What is the molecular formula of Methyl dihydrojasmonate, trans-(-)-?
The molecular formula of Methyl dihydrojasmonate, trans-(-)- is C13H22O3.
What is the molecular weight of Methyl dihydrojasmonate, trans-(-)-?
The molecular weight of Methyl dihydrojasmonate, trans-(-)- is 226.16 g/mol.
Where can I buy Methyl dihydrojasmonate, trans-(-)-?
You can request a quote for Methyl dihydrojasmonate, trans-(-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl dihydrojasmonate, trans-(-)-?
Yes, KEHONG BIO provides custom synthesis services for Methyl dihydrojasmonate, trans-(-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.