CAS RN: 2438777-94-5
trans-2-Amino-5,5-difluoro-cyclohexanol 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.20250928 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2438777-94-5
- Purity/Analytical Methods: >99.0%
2438777-94-5 / 2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride
Basic Information
CAS
2438777-94-5
Multi CAS
No
Molecular Formula
C6H12ClF2NO
Molecular Weight
187.610000
Exact Mass
187.057548
SMILES
C1CC(CC(C1N)O)(F)F.Cl
InChI
InChI=1S/C6H11F2NO.ClH/c7-6(8)2-1-4(9)5(10)3-6;/h4-5,10H,1-3,9H2;1H/t4-,5-;/m1./s1
InChIKey
OQORPJLMXFZJII-TYSVMGFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.03
TPSA
46.25
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.92
Consensus LogP
0.88
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.21
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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