![CAS 1427170-55-5 octahydro-[1,3]oxazolo[5,4-c]pyridin-2-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427170-55-5.gif)
CAS RN: 1427170-55-5
octahydro-[1,3]oxazolo[5,4-c]pyridin-2-one hydrochloride
- Product code: SSC-053543
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 | Beijing | Inquiry |
1427170-55-5 / 3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one;hydrochloride
Basic Information
CAS
1427170-55-5
Multi CAS
No
Molecular Formula
C6H11ClN2O2
Molecular Weight
178.620000
Exact Mass
178.050905
SMILES
C1CNCC2C1NC(=O)O2.Cl
InChI
InChI=1S/C6H10N2O2.ClH/c9-6-8-4-1-2-7-3-5(4)10-6;/h4-5,7H,1-3H2,(H,8,9);1H
InChIKey
HXBYZXJNGQBZAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.93
TPSA
50.36
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.12
Consensus LogP
-0.12
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.9
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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