CAS RN: 1544279-19-7
(5R)-3,3-DIFLUORO-5-(HYDROXYMETHYL)PYRROLIDIN-2-ONE
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.20251209 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1544279-19-7
- Purity/Analytical Methods: >99.0%
1544279-19-7 / (5R)-3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one
Basic Information
CAS
1544279-19-7
Multi CAS
No
Molecular Formula
C5H7F2NO2
Molecular Weight
151.110000
Exact Mass
151.044485
SMILES
C1[C@@H](NC(=O)C1(F)F)CO
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-3(2-9)8-4(5)10/h3,9H,1-2H2,(H,8,10)/t3-/m1/s1
InChIKey
CMRXZAKSZIVSCC-GSVOUGTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.58
TPSA
49.33
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.44
XLogP3
-0.3
Consensus LogP
-0.41
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4
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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