CAS RN: 122332-63-2
Cyclopentanecarboxylic acid, 2-hydroxy-, methyl ester, (1S,2S)- (9CI)
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.20250821 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS122332-63-2
- Purity/Analytical Methods: >99.0%
122332-63-2 / trans-methyl (1S,2S)-2-hydroxycyclopentane-1-carboxylate
Basic Information
CAS
122332-63-2
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
SMILES
COC(=O)[C@H]1CCC[C@@H]1O
InChI
InChI=1S/C7H12O3/c1-10-7(9)5-3-2-4-6(5)8/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
XMPIOOIEGQJDKJ-WDSKDSINSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.36
TPSA
46.53
LogP / Solubility
WLOGP
0.32
MLOGP
0.28
XLogP3
0.9
Consensus LogP
0.5
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very 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)
-3.37
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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