CAS RN: 915230-14-7
4,4-Difluoro-L-proline Methyl ester trifluoroacetate
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.20260123 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS915230-14-7
- Purity/Analytical Methods: >99.0%
915230-14-7 / methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
Basic Information
CAS
915230-14-7
Multi CAS
Yes
Molecular Formula
C8F5H10NO4
Molecular Weight
279.160000
Exact Mass
279.052999
InChI
InChI=1S/C6H9F2NO2.C2HF3O2/c1-11-5(10)4-2-6(7,8)3-9-4;3-2(4,5)1(6)7/h4,9H,2-3H2,1H3;(H,6,7)/t4-;/m0./s1
InChIKey
OVMBCVZBBJYYNQ-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.06
TPSA
75.63
LogP / Solubility
WLOGP
0.79
MLOGP
0.7
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.86
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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