CAS RN: 478028-37-4
Cyclohexanecarboxylic acid, 2-hydroxy-4-methyl-, (1R,2S,4R)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS478028-37-4
- Purity/Analytical Methods: >99.0%
478028-37-4 / 2-hydroxy-4-methylcyclohexane-1-carboxylic acid
Basic Information
CAS
478028-37-4
Multi CAS
Yes
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c1-5-2-3-6(8(10)11)7(9)4-5/h5-7,9H,2-4H2,1H3,(H,10,11)
InChIKey
LCPRDXDBYWFDSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.15
TPSA
57.53
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
1.5
Consensus LogP
1.04
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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