CAS RN: 2306253-19-8
Pyrrolidine, 3-fluoro-4-methoxy-, hydrochloride (1:1), (3S,4R)-
- Product code: SSC-112165
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
2306253-19-8 / (3S,4R)-3-fluoro-4-methoxypyrrolidine;hydrochloride
Basic Information
CAS
2306253-19-8
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+;/m0./s1
InChIKey
ZWYUPOATRRHOKQ-UYXJWNHNSA-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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