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CAS 351062-08-3 Necrostatin-7 (Nec-7) molecular structure lightbox
CAS RN: 351062-08-3

Necrostatin-7 (Nec-7)

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 100mg In stock Shanghai Inquiry
Batchno.20250506 10mg In stock Shanghai Inquiry
Batchno.20260418 250mg Out of stock Inquiry
Batchno.20250313 25mg In stock Shanghai Inquiry
Batchno.20250910 50mg In stock Shanghai Inquiry
Batchno.20250303 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS351062-08-3
  • Purity/Analytical Methods: >99.0%
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351062-08-3 / 5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

Standard CAS: 351062-08-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351062-08-3
Multi CAS
Yes
Molecular Formula
C16FH10N5OS2
Molecular Weight
371.400000
Exact Mass
371.031080
InChI
InChI=1S/C16H10FN5OS2/c17-11-3-1-9(2-4-11)13-10(8-20-21-13)7-12-14(23)22(15(18)25-12)16-19-5-6-24-16/h1-8,18H,(H,20,21)/b12-7-,18-15?
InChIKey
SMJGLNVGTJLIRV-KBEFMPHXSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
96.88
TPSA
85.73

LogP / Solubility

WLOGP
3.73
MLOGP
3.3
XLogP3
3.4
Consensus LogP
3.48
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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