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CAS 6705-46-0 Cyclopropyl propyl ketone molecular structure lightbox
CAS RN: 6705-46-0

Cyclopropyl propyl ketone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260621 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6705-46-0
  • Purity/Analytical Methods: >99.0%
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6705-46-0 / 1-cyclopropylbutan-1-one

Standard CAS: 6705-46-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6705-46-0
Multi CAS
Yes
Molecular Formula
C7H12O
Molecular Weight
112.170000
Exact Mass
112.088815
InChI
InChI=1S/C7H12O/c1-2-3-7(8)6-4-5-6/h6H,2-5H2,1H3
InChIKey
BQZDDAHAABBWRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
32.64
TPSA
17.07

LogP / Solubility

WLOGP
1.77
MLOGP
1.54
XLogP3
1.2
Consensus LogP
1.5
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-2.15

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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