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CAS 707-17-5 8-METHYL-1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE molecular structure lightbox
CAS RN: 707-17-5

8-METHYL-1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE

  • Product code: SSC-180443
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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: 5g
  • 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 707-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

707-17-5 / 8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Standard CAS: 707-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
707-17-5
Multi CAS
No
Molecular Formula
C9H14N2O2
Molecular Weight
182.220000
Exact Mass
182.105528
InChI
InChI=1S/C9H14N2O2/c1-6-2-4-9(5-3-6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKey
YDHFGMUUNFASMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.04
TPSA
58.2

LogP / Solubility

WLOGP
0.77
MLOGP
0.68
XLogP3
0.8
Consensus LogP
0.75
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.28

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

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