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CAS 28159-98-0 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine molecular structure lightbox
CAS RN: 28159-98-0

2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 25g In stock Inquiry
Batchno.20250525 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 100g Out of stock Inquiry
Batchno.20250330 25g In stock Shanghai Inquiry
Batchno.20260523 5g In stock Shanghai Inquiry
  • Product code: SSC-128872
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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: 5g
  • Available purity: ≥97%
  • 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 28159-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

28159-98-0 / 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

Standard CAS: 28159-98-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28159-98-0
Multi CAS
No
Molecular Formula
C11H19N5S
Molecular Weight
253.370000
Exact Mass
253.136117
InChI
InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
HDHLIWCXDDZUFH-UHFFFAOYSA-N

Physical Properties

Melting Point
128-133 °C
Appearance
Crystals from water
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
71.63
TPSA
62.73

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
3.9
Consensus LogP
2.79
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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