![CAS 886365-26-0 3-N-BOC-AMINO-1-[2-AMINO-1-(4-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/886365-26-0.png)
CAS RN: 886365-26-0
3-N-BOC-AMINO-1-[2-AMINO-1-(4-FLUORO-PHENYL)-ETHYL]-PYRROLIDINE
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.20250124 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN926507
886365-26-0 / tert-butyl N-[1-[2-amino-1-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]carbamate
Basic Information
CAS
886365-26-0
Multi CAS
No
Molecular Formula
C17FH26N3O2
Molecular Weight
323.400000
Exact Mass
323.200905
InChI
InChI=1S/C17H26FN3O2/c1-17(2,3)23-16(22)20-14-8-9-21(11-14)15(10-19)12-4-6-13(18)7-5-12/h4-7,14-15H,8-11,19H2,1-3H3,(H,20,22)
InChIKey
BYXVVXTXINETJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
87.54
TPSA
67.59
LogP / Solubility
WLOGP
2.42
MLOGP
2.15
XLogP3
1.9
Consensus LogP
2.16
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
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
3.5
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