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CAS 60263-07-2 jacaranone molecular structure lightbox
CAS RN: 60263-07-2

jacaranone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250606 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS60263-07-2
  • Purity/Analytical Methods: >99.0%
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60263-07-2 / methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate

Standard CAS: 60263-07-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60263-07-2
Multi CAS
Yes
Molecular Formula
C9H10O4
Molecular Weight
182.170000
Exact Mass
182.057909
InChI
InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3
InChIKey
WJZSKNRPRWCLLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.87
TPSA
63.6

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.02
XLogP3
0.2
Consensus LogP
0.05
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
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)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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