CAS RN: 951259-16-8
tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate
- Product code: SSC-210374
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
951259-16-8 / tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate
Basic Information
CAS
951259-16-8
Multi CAS
No
Molecular Formula
BC13H19O2Rn2S
Molecular Weight
347.270000
Exact Mass
346.035060
InChI
InChI=1S/C13H19BrN2O2S/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)11-15-8-10(14)19-11/h8-9H,4-7H2,1-3H3
InChIKey
FJQABAIILWOQDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
79.6
TPSA
42.43
LogP / Solubility
WLOGP
4.02
MLOGP
3.56
XLogP3
3.4
Consensus LogP
3.66
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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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