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CAS 66947-60-2 Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 5-methoxy- molecular structure lightbox
CAS RN: 66947-60-2

Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 5-methoxy-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS66947-60-2
  • Purity/Analytical Methods: >99.0%
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66947-60-2 / 5-methoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one

Standard CAS: 66947-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66947-60-2
Multi CAS
No
Molecular Formula
C9H8O2
Molecular Weight
148.160000
Exact Mass
148.052429
InChI
InChI=1S/C9H8O2/c1-11-8-4-2-3-6-5-7(10)9(6)8/h2-4H,5H2,1H3
InChIKey
RBEPUKMEVUHMAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.03
TPSA
26.3

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
0.8
Consensus LogP
1.16
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.61

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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