CAS RN: 21531-43-1
(1R)-3-oxocyclohexane-1-carboxylic acid
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.20250620 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS21531-43-1
- Purity/Analytical Methods: >99.0%
21531-43-1 / (1R)-3-oxocyclohexane-1-carboxylic acid
Basic Information
CAS
21531-43-1
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
C1C[C@H](CC(=O)C1)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)/t5-/m1/s1
InChIKey
WATQNARHYZXAGY-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.6
TPSA
54.37
LogP / Solubility
WLOGP
0.83
MLOGP
0.72
XLogP3
-0.1
Consensus LogP
0.48
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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
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
-
Cyclohexanecarboxylic acid, 3-hydroxy-, (1R,3S)-
- CAS RN: 21531-44-2
- Product Code: SSC-103184
-
(1S,3R)-3-hydroxycyclohexane-1-carboxylic acid
- CAS RN: 21531-45-3
- Product Code: SSC-103185
-
ethyl (1R)-3-oxidanylidenecyclohexane-1-carboxylate
- CAS RN: 21531-46-4
- Product Code: SSC-103186
-
-
7-CHLORO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE HYDROCHLORIDE
- CAS RN: 215315-62-1
- Product Code: SSC-103189
-
Balanophonin, (+)-
- CAS RN: 215319-47-4
- Product Code: starshine_CAS215319-47-4
- Purity/Analytical method: >99.0%
