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Prohydrojasmon (racemate)

CAT: 0804-HY-112101-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112101-01Size:100 mg
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Description
Prohydrojasmon racemate (n-Propyl dihydrojasmonate) is the racemate of Prohydrojasmon. Prohydrojasmon is a synthesized plant growth regulator[1].
CAS Number
158474-72-7
Product Name Alternative
N-Propyl dihydrojasmonate
UNSPSC
12352211
Hazard Statement
H315-H319-H335
Target
Drug Isomer
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Prohydrojasmon_racemate.html
Purity
98.0
Solubility
DMSO : ≥ 54 mg/mL
Smiles
O=C(OCCC)CC1C(CCCCC)C(CC1)=O
Molecular Formula
C15H26O3
Molecular Weight
254.37
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
References & Citations
[1]Pu CH, et al. Modified QuEChERS method for 24 plant growth regulators in grapes using LC-MS/MS. J Food Drug Anal. 2018 Apr;26 (2) :637-648.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Propyl 3-oxo-2-pentylcyclopentaneacetate
CAS Number158474-72-7
PubChem CID11184378
IUPAC Namepropyl 2-(3-oxo-2-pentylcyclopentyl)acetate
Molecular FormulaC15H26O3
Molecular Weight254.36
XLogP3.6
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count18
Formal Charge0
Complexity273
SMILES
CCCCCC1C(CCC1=O)CC(=O)OCCC
InChI
InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
InChIKey
IPDFPNNPBMREIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl 3-oxo-2-pentylcyclopentaneacetate
CAS: 158474-72-7
CID: 11184378
Formula: C15H26O3
MW: 254.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight254.36
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass254.18819469
Monoisotopic Mass254.18819469
Topological Polar Surface Area43.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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