![CAS 186202-12-0 Carbamic acid, [3-(fluoromethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186202-12-0.gif)
CAS RN: 186202-12-0
Carbamic acid, [3-(fluoromethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)
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.20250919 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS186202-12-0
- Purity/Analytical Methods: >99.0%
186202-12-0 / tert-butyl N-[3-(fluoromethyl)pyrrolidin-3-yl]carbamate
Basic Information
CAS
186202-12-0
Multi CAS
No
Molecular Formula
C10H19FN2O2
Molecular Weight
218.270000
Exact Mass
218.143056
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)CF
InChI
InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-10(6-11)4-5-12-7-10/h12H,4-7H2,1-3H3,(H,13,14)
InChIKey
OFIDGFKUTVYMAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.56
TPSA
50.36
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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