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CAS 31250-06-3 KRYPTOFIX(R) 211 molecular structure lightbox
CAS RN: 31250-06-3

KRYPTOFIX(R) 211

  • Product code: SSC-136526
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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 31250-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

31250-06-3 / 4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]icosane

Standard CAS: 31250-06-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31250-06-3
Multi CAS
Yes
Molecular Formula
C14H28N2O4
Molecular Weight
288.380000
Exact Mass
288.204907
InChI
InChI=1S/C14H28N2O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h1-14H2
InChIKey
LVNQVIZBPSRXAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
H-bond acceptors
6
Molar refractivity
76.16
TPSA
43.4

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.27
XLogP3
-0.7
Consensus LogP
-0.43
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8

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