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CAS 3572-66-5 (+/-)-JASMONIC ACID molecular structure lightbox
CAS RN: 3572-66-5

(+/-)-JASMONIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250525 25mg / 50mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: starshine_CAS3572-66-5
  • Purity/Analytical Methods: >99.0%
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3572-66-5 / 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid

Standard CAS: 3572-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3572-66-5
Multi CAS
Yes
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
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-ONEGZZNKSA-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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