CAS RN: 871828-66-9
1-Piperidinecarbothioamide, 4-(4-morpholinyl)-
- Product code: SSC-196852
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 | Hong Kong | Inquiry |
871828-66-9 / 4-morpholin-4-ylpiperidine-1-carbothioamide
Basic Information
CAS
871828-66-9
Multi CAS
No
Molecular Formula
C10H19N3OS
Molecular Weight
229.340000
Exact Mass
229.124883
InChI
InChI=1S/C10H19N3OS/c11-10(15)13-3-1-9(2-4-13)12-5-7-14-8-6-12/h9H,1-8H2,(H2,11,15)
InChIKey
GVSQPUHHPCABRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.77
TPSA
41.73
LogP / Solubility
WLOGP
0.03
MLOGP
0.03
Consensus LogP
0.02
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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