CAS RN: 36150-04-6

1,4-Epoxy-p-menthane-2,3-diol

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Batchno.20260312 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS36150-04-6
  • Purity/Analytical Methods: >99.0%
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36150-04-6 / 1-methyl-4-propan-2-ylcyclohexane-1,2,4-triol

Standard CAS: 36150-04-6 Multi CAS: Yes

Basic Information

CAS
36150-04-6
Multi CAS
Yes
Molecular Formula
C10H20O3
Molecular Weight
188.260000
Exact Mass
188.141245
InChI
InChI=1S/C10H20O3/c1-7(2)10(13)5-4-9(3,12)8(11)6-10/h7-8,11-13H,4-6H2,1-3H3/t8-,9-,10-/m0/s1
InChIKey
RKROZYQLIWCOBD-GUBZILKMSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.27
TPSA
60.69

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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