CAS RN: 19550-46-0
1,3-DIMETHYLCYCLOPENTANOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250102 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS19550-46-0
- Purity/Analytical Methods: >99.0%
19550-46-0 / 1,3-dimethylcyclopentan-1-ol
Basic Information
CAS
19550-46-0
Multi CAS
No
Molecular Formula
C7H14O
Molecular Weight
114.190000
Exact Mass
114.104465
SMILES
CC1CCC(C1)(C)O
InChI
InChI=1S/C7H14O/c1-6-3-4-7(2,8)5-6/h6,8H,3-5H2,1-2H3
InChIKey
LLIFEWZQIYEVKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.64
TPSA
20.23
LogP / Solubility
WLOGP
1.56
MLOGP
1.36
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.31
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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