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CAS 1026796-27-9 2,5,7-Triazaspiro[3.4]octane-6,8-dione hydrochloride molecular structure lightbox
CAS RN: 1026796-27-9

2,5,7-Triazaspiro[3.4]octane-6,8-dione hydrochloride

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251102 100mg In stock Shanghai Inquiry
Batchno.20260519 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260512 1g In stock Shanghai Inquiry
Batchno.20260208 250mg In stock Shanghai Inquiry
Batchno.20251224 50mg In stock Shanghai Inquiry
  • Product code: SSC-003969
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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: 1g
  • 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 1026796-27-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1026796-27-9 / 2,5,7-triazaspiro[3.4]octane-6,8-dione;hydrochloride

2,5,7-Triazaspiro[3.4]octane-6,8-dione hydrochloride | 2,5,7-Triazaspiro(3.4)octane-6,8-dione hydrochloride | RefChem:444038

Standard CAS: 1026796-27-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1026796-27-9
Multi CAS
No
Molecular Formula
C5H8ClN3O2
Molecular Weight
177.590000
Exact Mass
177.030504
SMILES
C1C2(CN1)C(=O)NC(=O)N2.Cl
InChI
InChI=1S/C5H7N3O2.ClH/c9-3-5(1-6-2-5)8-4(10)7-3;/h6H,1-2H2,(H2,7,8,9,10);1H
InChIKey
APFZBOWOQWUJFJ-UHFFFAOYSA-N
Synonyms
2,5,7-Triazaspiro[3.4]octane-6,8-dione hydrochloride 2,5,7-Triazaspiro(3.4)octane-6,8-dione hydrochloride RefChem:444038 867-144-1 MFCD20688617

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.52
TPSA
70.23

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.24
XLogP3
-1.41
Consensus LogP
-1.35
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.36
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.8

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
2.5

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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