CAS RN: 1258298-41-7
Cis-2-fluorocyclopropanecarboxamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1258298-41-7
- Purity/Analytical Methods: >99.0%
1258298-41-7 / cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide
Basic Information
CAS
1258298-41-7
Multi CAS
No
Molecular Formula
C4H6FNO
Molecular Weight
103.090000
Exact Mass
103.043342
SMILES
C1[C@H]([C@H]1F)C(=O)N
InChI
InChI=1S/C4H6FNO/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H2,6,7)
InChIKey
PHZKRDKMJHXGBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.2
TPSA
43.09
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.16
XLogP3
-0.3
Consensus LogP
-0.21
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.28
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
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)
-3.47
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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