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CAS 221682-41-3 Jasmonic Acid (mixture of isomers) molecular structure lightbox
CAS RN: 221682-41-3

Jasmonic Acid (mixture of isomers)

Product Availability

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8 package records7 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250624 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260511 250mg In stock Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 1g In stock Shanghai, Chongqing Inquiry
Batchno.20250204 250mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250903 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250220 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai, Guangdong, Chongqing, Hebei 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250318 100mg Out of stock 8-10 business days Inquiry
Batchno.20251207 250mg In stock Shanghai Inquiry
  • Product code: SSC-106647
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 221682-41-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

221682-41-3 / 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

Standard CAS: 221682-41-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221682-41-3
Multi CAS
No
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
SMILES
CC/C=C\CC1C(CCC1=O)CC(=O)O
InChI
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-
InChIKey
ZNJFBWYDHIGLCU-ARJAWSKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.52
TPSA
54.37

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
1.6
Consensus LogP
2.04
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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