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CAS 923209-26-1 N-METHYL-N’-(3-METHYLISOXAZOL-5-YL)BENZENECARBOXIMIDAMIDE molecular structure lightbox
CAS RN: 923209-26-1

N-METHYL-N’-(3-METHYLISOXAZOL-5-YL)BENZENECARBOXIMIDAMIDE

  • Product code: SSC-205932
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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 923209-26-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

923209-26-1 / 4-[(6-piperazin-1-yl-3-pyridinyl)sulfonyl]morpholine

Standard CAS: 923209-26-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
923209-26-1
Multi CAS
Yes
Molecular Formula
C13H20N4O3S
Molecular Weight
312.390000
Exact Mass
312.125612
InChI
InChI=1S/C13H20N4O3S/c18-21(19,17-7-9-20-10-8-17)12-1-2-13(15-11-12)16-5-3-14-4-6-16/h1-2,11,14H,3-10H2
InChIKey
BSOKWMHJZRJOHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
78.9
TPSA
74.77

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.42
XLogP3
-0.6
Consensus LogP
-0.5
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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