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CAS 54621-17-9 9,12-DIOXA-1,3-DIAZADISPIRO[4.2.4.2]TETRADECANE-2,4-DIONE molecular structure lightbox
CAS RN: 54621-17-9

9,12-DIOXA-1,3-DIAZADISPIRO[4.2.4.2]TETRADECANE-2,4-DIONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 10mg / 50mg Out of stock 30 business days Inquiry
  • Product code: SSC-162371
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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 54621-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

54621-17-9 / 9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione

Standard CAS: 54621-17-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54621-17-9
Multi CAS
Yes
Molecular Formula
C10H14N2O4
Molecular Weight
226.230000
Exact Mass
226.095357
InChI
InChI=1S/C10H14N2O4/c13-7-9(12-8(14)11-7)1-3-10(4-2-9)15-5-6-16-10/h1-6H2,(H2,11,12,13,14)
InChIKey
VJZBGDJWIYJHCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.51
TPSA
76.66

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.1
XLogP3
-0.5
Consensus LogP
-0.24
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-4.18

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
3.5

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