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CAS 105786-95-6 4,5,6,7-Tetrahydro-3-hydroxy-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium inner salt molecular structure lightbox
CAS RN: 105786-95-6

4,5,6,7-Tetrahydro-3-hydroxy-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium inner salt

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260204 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-007498
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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, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 105786-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

105786-95-6 / 4,5,6,7-tetrahydrooxadiazolo[3,4-a]pyridin-8-ium-3-olate

4,5,6,7-Tetrahydro-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium-3-olate | DTXSID20474325 | 4,5,6,7-Tetrahydro-(1,2,3)oxadiazolo(3,4-a)pyridin-8-ium-3-olate

Standard CAS: 105786-95-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105786-95-6
Multi CAS
Yes
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
C1CC[N+]2=NOC(=C2C1)[O-]
InChI
InChI=1S/C6H8N2O2/c9-6-5-3-1-2-4-8(5)7-10-6/h1-4H2
InChIKey
OBCUGZUJWKHNHA-UHFFFAOYSA-N
Synonyms
4,5,6,7-Tetrahydro-[1,2,3]oxadiazolo[3,4-a]pyridin-8-ium-3-olate DTXSID20474325 4,5,6,7-Tetrahydro-(1,2,3)oxadiazolo(3,4-a)pyridin-8-ium-3-olate RefChem:285121 DTXCID60425139

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
3
Molar refractivity
29.08
TPSA
52.97

LogP / Solubility

WLOGP
-0.63
MLOGP
-0.56
XLogP3
1.9
Consensus LogP
0.24
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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