![CAS 186203-13-4 TERT-BUTYL[3-(TRIFLUOROMETHYLPYRROLIDINE-3-YL)]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186203-13-4.gif)
CAS RN: 186203-13-4
TERT-BUTYL[3-(TRIFLUOROMETHYLPYRROLIDINE-3-YL)]CARBAMATE
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.20250106 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS186203-13-4
- Purity/Analytical Methods: >99.0%
186203-13-4 / tert-butyl N-[3-(trifluoromethyl)pyrrolidin-3-yl]carbamate
Basic Information
CAS
186203-13-4
Multi CAS
No
Molecular Formula
C10H17F3N2O2
Molecular Weight
254.250000
Exact Mass
254.124212
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-9(10(11,12)13)4-5-14-6-9/h14H,4-6H2,1-3H3,(H,15,16)
InChIKey
CBRWRWRFOZZKCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.64
TPSA
50.36
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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