CAS RN: 1823319-20-5
3-(Fluoromethyl)-3-Methylpyrrolidine Hydrochloride(WX601189)
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.20250211 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823319-20-5
- Purity/Analytical Methods: >99.0%
1823319-20-5 / 3-(fluoromethyl)-3-methylpyrrolidine;hydrochloride
Basic Information
CAS
1823319-20-5
Multi CAS
No
Molecular Formula
C6H13ClFN
Molecular Weight
153.620000
Exact Mass
153.072055
SMILES
CC1(CCNC1)CF.Cl
InChI
InChI=1S/C6H12FN.ClH/c1-6(4-7)2-3-8-5-6;/h8H,2-5H2,1H3;1H
InChIKey
WGHPIGLXGNHFMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.82
TPSA
12.03
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.38
Consensus LogP
1.32
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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