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CAS 991-84-4 4-[[4,6-Bis(n-octylthio)-1,3,5-triazin-2-yl]amino]-2,6-di-tert-butylphenol molecular structure lightbox
CAS RN: 991-84-4

4-[[4,6-Bis(n-octylthio)-1,3,5-triazin-2-yl]amino]-2,6-di-tert-butylphenol

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260411 100g In stock Inquiry
Batchno.20260411 25g In stock Inquiry
Batchno.20260312 500g In stock Inquiry
Batchno.20250919 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 100g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250213 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260223 1kg In stock Shanghai Inquiry
Batchno.20250722 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20251206 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260614 500g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251025 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-213002
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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: 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 991-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

991-84-4 / 4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-ditert-butylphenol

Standard CAS: 991-84-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
991-84-4
Multi CAS
Yes
Molecular Formula
C33H56N4OS2
Molecular Weight
589.000000
Exact Mass
588.389555
InChI
InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)
InChIKey
QRLSTWVLSWCGBT-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder; Pellets or Large Crystals, Other Solid; Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.73
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
2
Molar refractivity
176.82
TPSA
70.93

LogP / Solubility

WLOGP
10.82
MLOGP
9.57
XLogP3
13.4
Consensus LogP
11.26
Log S (ESOL)
-9.34
Class (ESOL)
Insoluble
Log S (Ali)
-12.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.37

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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