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CAS 253158-13-3 2,4-Bis[4-(tert-butyl)phenyl]-6-chloro-1,3,5-triazine molecular structure lightbox
CAS RN: 253158-13-3

2,4-Bis[4-(tert-butyl)phenyl]-6-chloro-1,3,5-triazine

Product Availability

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7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251224 1g In stock Inquiry
Batchno.20260413 250mg In stock Inquiry
Batchno.20250515 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250315 100mg / 250mg / 1g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260221 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250829 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250307 5g Out of stock Inquiry
  • Product code: SSC-121184
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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 253158-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

253158-13-3 / 2,4-bis(4-tert-butylphenyl)-6-chloro-1,3,5-triazine

Standard CAS: 253158-13-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253158-13-3
Multi CAS
No
Molecular Formula
C23H26ClN3
Molecular Weight
379.900000
Exact Mass
379.181526
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C23H26ClN3/c1-22(2,3)17-11-7-15(8-12-17)19-25-20(27-21(24)26-19)16-9-13-18(14-10-16)23(4,5)6/h7-14H,1-6H3
InChIKey
NLAAIBGZDQFCAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
113.11
TPSA
38.67

LogP / Solubility

WLOGP
6.45
MLOGP
5.7
XLogP3
7.6
Consensus LogP
6.58
Log S (ESOL)
-6.62
Class (ESOL)
Insoluble
Log S (Ali)
-7.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.46

Drug-likeness / Medicinal Chemistry

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

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