![CAS 1639454-85-5 (1S,2S)-2-{[(tert-butoxy)carbonyl]amino}-1-fluorocyclobutane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1639454-85-5.gif)
CAS RN: 1639454-85-5
(1S,2S)-2-{[(tert-butoxy)carbonyl]amino}-1-fluorocyclobutane-1-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.20260601 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1639454-85-5
- Purity/Analytical Methods: >99.0%
1639454-85-5 / cis-(1S,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Basic Information
CAS
1639454-85-5
Multi CAS
No
Molecular Formula
C10H16FNO4
Molecular Weight
233.240000
Exact Mass
233.106336
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@]1(C(=O)O)F
InChI
InChI=1S/C10H16FNO4/c1-9(2,3)16-8(15)12-6-4-5-10(6,11)7(13)14/h6H,4-5H2,1-3H3,(H,12,15)(H,13,14)/t6-,10-/m0/s1
InChIKey
HHODVUWEHKLBLG-WKEGUHRASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.87
TPSA
75.63
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.8
Consensus LogP
1.52
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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