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CAS 4311-88-0 Necrostatin-1 molecular structure lightbox
CAS RN: 4311-88-0

Necrostatin-1

Product Availability

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12 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250905 10mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250629 1g Out of stock 5-7 business days Inquiry
Batchno.20250204 250mg In stock Shandong Inquiry
Batchno.20260515 50mg In stock Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250713 100mg In stock Shanghai Inquiry
Batchno.20251206 10mg In stock Shanghai Inquiry
Batchno.20260104 1g In stock Tianjin Inquiry
Batchno.20260305 1mg In stock Shanghai Inquiry
Batchno.20260523 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260101 50mg In stock Shanghai, Chengdu Inquiry
Batchno.20250518 5g Out of stock Inquiry
Batchno.20260507 5mg In stock Shanghai Inquiry
  • Product code: SSC-151407
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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: 0.25g
  • 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 4311-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

4311-88-0 / (5S)-5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one

Standard CAS: 4311-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4311-88-0
Multi CAS
Yes
Molecular Formula
C13H13N3OS
Molecular Weight
259.330000
Exact Mass
259.077933
InChI
InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)/t11-/m0/s1
InChIKey
TXUWMXQFNYDOEZ-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.29
TPSA
48.13

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.9
Consensus LogP
1.53
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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