CAS RN: 27607-33-6
CIS-1,2-CYCLOOCTANEDIOL
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS27607-33-6
- Purity/Analytical Methods: >99.0%
27607-33-6 / cyclooctane-1,2-diol
Basic Information
CAS
27607-33-6
Multi CAS
Yes
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
InChI
InChI=1S/C8H16O2/c9-7-5-3-1-2-4-6-8(7)10/h7-10H,1-6H2
InChIKey
HUSOFJYAGDTKSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.72
TPSA
40.46
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
1.3
Consensus LogP
1.1
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
