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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: >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 |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
1353986-28-3 / 1-pyridin-2-ylsulfonylpiperidin-3-ol
Basic Information
CAS
1353986-28-3
Multi CAS
No
Molecular Formula
C10H14N2O3S
Molecular Weight
242.300000
Exact Mass
242.072513
SMILES
C1CC(CN(C1)S(=O)(=O)C2=CC=CC=N2)O
InChI
InChI=1S/C10H14N2O3S/c13-9-4-3-7-12(8-9)16(14,15)10-5-1-2-6-11-10/h1-2,5-6,9,13H,3-4,7-8H2
InChIKey
WHSOWTUAIHIVFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.24
TPSA
70.5
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
0.2
Consensus LogP
0.21
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1353989-77-1 [1-(6-Methoxy-pyriMidin-4-yl)-piperidin-3-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02577449(1).gif)
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