CAS RN: 342612-83-3
(S)-2-BENZYLOXYCARBONYLAMINO-4,4-DIFLUORO-BUTYRIC ACID METHYL ESTER
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.20250311 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS342612-83-3
- Purity/Analytical Methods: >99.0%
342612-83-3 / methyl 4,4-difluoro-2-(phenylmethoxycarbonylamino)butanoate
Basic Information
CAS
342612-83-3
Multi CAS
Yes
Molecular Formula
C13F2H15NO4
Molecular Weight
287.260000
Exact Mass
287.096914
InChI
InChI=1S/C13H15F2NO4/c1-19-12(17)10(7-11(14)15)16-13(18)20-8-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKey
HVDKCIFFBKRSLO-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.19
TPSA
64.63
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
2.6
Consensus LogP
2.19
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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