CAS RN: 40423-82-3
2-chloro-5-fluoro-4-piperidin-1-yl-pyrimidine
- Product code: SSC-148591
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
40423-82-3 / 2-chloro-5-fluoro-4-piperidin-1-ylpyrimidine
Basic Information
CAS
40423-82-3
Multi CAS
Yes
Molecular Formula
C9H11CLFN3
Molecular Weight
215.650000
Exact Mass
215.062553
InChI
InChI=1S/C9H11ClFN3/c10-9-12-6-7(11)8(13-9)14-4-2-1-3-5-14/h6H,1-5H2
InChIKey
IQCLACOTWKDRDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.06
TPSA
29.02
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.6
Consensus LogP
2.28
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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