CAS RN: 5442-00-2
2-CYCLOHEXYL-1-PROPANOL
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS5442-00-2
- Purity/Analytical Methods: >99.0%
5442-00-2 / 2-cyclohexylpropan-1-ol
Basic Information
CAS
5442-00-2
Multi CAS
Yes
Molecular Formula
C9H18O
Molecular Weight
142.240000
Exact Mass
142.135765
InChI
InChI=1S/C9H18O/c1-8(7-10)9-5-3-2-4-6-9/h8-10H,2-7H2,1H3
InChIKey
IRIVQXLOJHCXIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.82
TPSA
20.23
LogP / Solubility
WLOGP
2.2
MLOGP
1.92
XLogP3
3.1
Consensus LogP
2.41
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
- CAS RN: 5442-91-1
- Product Code: SSC-162103
-
Nsc13695
- CAS RN: 5443-16-3
- Product Code: starshine_CAS5443-16-3
- Purity/Analytical method: >99.0%
-
-
-
3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-a mine
- CAS RN: 5444-29-1
- Product Code: SSC-162117
-
![CAS 5444-29-1 3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-a mine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5444-29-1.gif)
![CAS 5444-61-1 1-Benzyl-1H-pyrazolo[3,4-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5444-61-1.gif)