CAS RN: 2199141-40-5
(R)-3,3-Difluoro-cyclohexylamine hydrochloride
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.20250521 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2199141-40-5
- Purity/Analytical Methods: >99.0%
2199141-40-5 / (1R)-3,3-difluorocyclohexan-1-amine;hydrochloride
Basic Information
CAS
2199141-40-5
Multi CAS
No
Molecular Formula
C6H12ClF2N
Molecular Weight
171.610000
Exact Mass
171.062633
SMILES
C1C[C@H](CC(C1)(F)F)N.Cl
InChI
InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-2-5(9)4-6;/h5H,1-4,9H2;1H/t5-;/m1./s1
InChIKey
CYAZLMHIPJPQQF-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.64
TPSA
26.02
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.94
Consensus LogP
1.86
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.39
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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