CAS RN: 14429-43-7
(R)-ACETYLAMINO-CYCLOHEXYL-ACETIC 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.20260205 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14429-43-7
- Purity/Analytical Methods: >99.0%
14429-43-7 / (2R)-2-acetamido-2-cyclohexylacetic acid
Basic Information
CAS
14429-43-7
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CC(=O)N[C@H](C1CCCCC1)C(=O)O
InChI
InChI=1S/C10H17NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)/t9-/m1/s1
InChIKey
CVVVAKVOCWNDLJ-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.82
TPSA
66.4
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.5
Consensus LogP
1.23
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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