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CAS 57872-32-9 1-(propan-2-yl)cyclopropan-1-ol molecular structure lightbox
CAS RN: 57872-32-9

1-(propan-2-yl)cyclopropan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS57872-32-9
  • Purity/Analytical Methods: >99.0%
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57872-32-9 / 1-propan-2-ylcyclopropan-1-ol

Standard CAS: 57872-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57872-32-9
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
InChI
InChI=1S/C6H12O/c1-5(2)6(7)3-4-6/h5,7H,3-4H2,1-2H3
InChIKey
HWUUJXHUDBJPRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.02
TPSA
20.23

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-2.5

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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