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CAS 142096-80-8 ((1R,2R)-2-(benzyloxyMethyl)cyclopropyl)Methanol molecular structure lightbox
CAS RN: 142096-80-8

((1R,2R)-2-(benzyloxyMethyl)cyclopropyl)Methanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS142096-80-8
  • Purity/Analytical Methods: >99.0%
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142096-80-8 / [(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]methanol

Standard CAS: 142096-80-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142096-80-8
Multi CAS
No
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
SMILES
C1[C@H]([C@@H]1COCC2=CC=CC=C2)CO
InChI
InChI=1S/C12H16O2/c13-7-11-6-12(11)9-14-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2/t11-,12-/m0/s1
InChIKey
QXASXPPLOQNMOY-RYUDHWBXSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.78
TPSA
29.46

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.59

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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