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CAS 20344-52-9 Cyclohexanol,1-(1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 20344-52-9

Cyclohexanol,1-(1,1-dimethylethyl)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS20344-52-9
  • Purity/Analytical Methods: >99.0%
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20344-52-9 / 1-tert-butylcyclohexan-1-ol

Standard CAS: 20344-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20344-52-9
Multi CAS
No
Molecular Formula
C10H20O
Molecular Weight
156.260000
Exact Mass
156.151415
SMILES
CC(C)(C)C1(CCCCC1)O
InChI
InChI=1S/C10H20O/c1-9(2,3)10(11)7-5-4-6-8-10/h11H,4-8H2,1-3H3
InChIKey
FDZSOJOJVCBNNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.49
TPSA
20.23

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-1.74

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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