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CAS 565-48-0 cis-4-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol molecular structure lightbox
CAS RN: 565-48-0

cis-4-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol

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3 package records0 with current stock2 grade groups
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Batchno.20260201 1mg / 5mg Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS565-48-0
  • Purity/Analytical Methods: >99.0%
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565-48-0 / 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol

Standard CAS: 565-48-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
565-48-0
Multi CAS
Yes
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
InChI
InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3
InChIKey
RBNWAMSGVWEHFP-UHFFFAOYSA-N

Physical Properties

Melting Point
158 - 159 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.88
TPSA
40.46

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.2
Consensus LogP
1.46
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.56

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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