CAS RN: 1363380-71-5
1-(Boc-aminomethyl)-3-fluorocyclobutane-carboxylic acid
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.20250108 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1363380-71-5
- Purity/Analytical Methods: >99.0%
1363380-71-5 / 3-fluoro-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutane-1-carboxylic acid
Basic Information
CAS
1363380-71-5
Multi CAS
No
Molecular Formula
C11H18FNO4
Molecular Weight
247.260000
Exact Mass
247.121986
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)F)C(=O)O
InChI
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-11(8(14)15)4-7(12)5-11/h7H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
OGLQFUNWJNKLCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.44
TPSA
75.63
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.2
Consensus LogP
1.47
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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