CAS RN: 25144-04-1
TRANS-2-METHYLCYCLOPENTANOL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS25144-04-1
- Purity/Analytical Methods: >99.0%
25144-04-1 / 2-methylcyclopentan-1-ol
Basic Information
CAS
25144-04-1
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
SMILES
CC1CCCC1O
InChI
InChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3
InChIKey
BVIJQMCYYASIFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.02
TPSA
20.23
LogP / Solubility
WLOGP
1.17
MLOGP
1.02
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS25152-20-9
- Purity/Analytical method: >99.0%
