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CAS 1517037-41-0 [2-(2-Ethyl-phenyl)-cyclopropyl]-methanol molecular structure lightbox
CAS RN: 1517037-41-0

[2-(2-Ethyl-phenyl)-cyclopropyl]-methanol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250125 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS1517037-41-0
  • Purity/Analytical Methods: >99.0%
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1517037-41-0 / [2-(2-ethylphenyl)cyclopropyl]methanol

Standard CAS: 1517037-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1517037-41-0
Multi CAS
No
Molecular Formula
C12H16O
Molecular Weight
176.250000
Exact Mass
176.120115
SMILES
CCC1=CC=CC=C1C2CC2CO
InChI
InChI=1S/C12H16O/c1-2-9-5-3-4-6-11(9)12-7-10(12)8-13/h3-6,10,12-13H,2,7-8H2,1H3
InChIKey
CKGYBHDTLVSYPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.75
TPSA
20.23

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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