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CAS 1193388-13-4 3,9-Diazaspiro[5.5]undecane-2,4-dione hydrochloride molecular structure lightbox
CAS RN: 1193388-13-4

3,9-Diazaspiro[5.5]undecane-2,4-dione hydrochloride

  • Product code: SSC-019894
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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 1193388-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1193388-13-4 / 3,9-diazaspiro[5.5]undecane-2,4-dione;hydrochloride

3,9-diazaspiro[5.5]undecane-2,4-dione hydrochloride | 3,9-diazaspiro(5.5)undecane-2,4-dione hydrochloride | RefChem:487796

Standard CAS: 1193388-13-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1193388-13-4
Multi CAS
No
Molecular Formula
C9H15ClN2O2
Molecular Weight
218.680000
Exact Mass
218.082205
SMILES
C1CNCCC12CC(=O)NC(=O)C2.Cl
InChI
InChI=1S/C9H14N2O2.ClH/c12-7-5-9(6-8(13)11-7)1-3-10-4-2-9;/h10H,1-6H2,(H,11,12,13);1H
InChIKey
ACMRTIRMUMWPOT-UHFFFAOYSA-N
Synonyms
3,9-diazaspiro[5.5]undecane-2,4-dione hydrochloride 3,9-diazaspiro(5.5)undecane-2,4-dione hydrochloride RefChem:487796 889-875-5 MFCD12912767

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.17
TPSA
58.2

LogP / Solubility

WLOGP
0.21
MLOGP
0.19
XLogP3
0.21
Consensus LogP
0.2
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.9

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
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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