CAS RN: 1433363-34-8
(R)-4,4-difluoropyrrolidin-3-ol 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.20250611 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1433363-34-8
- Purity/Analytical Methods: >99.0%
1433363-34-8 / (3R)-4,4-difluoropyrrolidin-3-ol;hydrochloride
Basic Information
CAS
1433363-34-8
Multi CAS
No
Molecular Formula
C4H8ClF2NO
Molecular Weight
159.560000
Exact Mass
159.026248
SMILES
C1[C@H](C(CN1)(F)F)O.Cl
InChI
InChI=1S/C4H7F2NO.ClH/c5-4(6)2-7-1-3(4)8;/h3,7-8H,1-2H2;1H/t3-;/m1./s1
InChIKey
NLERLCGBOKVMAG-AENDTGMFSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.07
TPSA
32.26
LogP / Solubility
WLOGP
0.01
XLogP3
0.01
Consensus LogP
0.01
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-3.69
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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