CAS RN: 1523530-49-5
TRANS-3-FLUORO-4-METHOXYPYRROLIDINE HCL
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.20251222 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1523530-49-5
- Purity/Analytical Methods: >99.0%
1523530-49-5 / (3R,4R)-3-fluoro-4-methoxypyrrolidine;hydrochloride
Basic Information
CAS
1523530-49-5
Multi CAS
No
Molecular Formula
C5H11ClFNO
Molecular Weight
155.600000
Exact Mass
155.051320
SMILES
CO[C@@H]1CNC[C@H]1F.Cl
InChI
InChI=1S/C5H10FNO.ClH/c1-8-5-3-7-2-4(5)6;/h4-5,7H,2-3H2,1H3;1H/t4-,5-;/m1./s1
InChIKey
ZWYUPOATRRHOKQ-TYSVMGFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.81
TPSA
21.26
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.36
Consensus LogP
0.35
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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