CAS RN: 523-92-2

5-O-Methyl-myo-inositol

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  • Product code: starshine_CAS523-92-2
  • Purity/Analytical Methods: >99.0%
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523-92-2 / 6-methoxycyclohexane-1,2,3,4,5-pentol

Standard CAS: 523-92-2 Multi CAS: Yes

Basic Information

CAS
523-92-2
Multi CAS
Yes
Molecular Formula
C7H14O6
Molecular Weight
194.180000
Exact Mass
194.079038
InChI
InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
InChIKey
DSCFFEYYQKSRSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
40.83
TPSA
110.38

LogP / Solubility

WLOGP
-3.18
MLOGP
-2.8
XLogP3
-3.2
Consensus LogP
-3.06
Log S (ESOL)
1.03
Class (ESOL)
Highly soluble
Log S (Ali)
1.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.6
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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