![CAS 634911-80-1 3-[[(tert-Butoxy)carbonyl]amino]-5-fluoro-4-oxopentanoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/634911-80-1.gif)
CAS RN: 634911-80-1
3-[[(tert-Butoxy)carbonyl]amino]-5-fluoro-4-oxopentanoic acid methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251005 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS634911-80-1
- Purity/Analytical Methods: >99.0%
634911-80-1 / methyl (3S)-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
Basic Information
CAS
634911-80-1
Multi CAS
Yes
Molecular Formula
C11FH18NO5
Molecular Weight
263.260000
Exact Mass
263.116901
InChI
InChI=1S/C11H18FNO5/c1-11(2,3)18-10(16)13-7(8(14)6-12)5-9(15)17-4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKey
MXOOUCRHWJYCAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.77
TPSA
81.7
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
0.9
Consensus LogP
0.92
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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