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CAS 73084-03-4 2,4-Di-Tert-Butyl-6-Chloro-1,3,5-Triazine molecular structure lightbox
CAS RN: 73084-03-4

2,4-Di-Tert-Butyl-6-Chloro-1,3,5-Triazine

  • Product code: SSC-182519
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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: 1g
  • 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 73084-03-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

73084-03-4 / 2,4-ditert-butyl-6-chloro-1,3,5-triazine

Standard CAS: 73084-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73084-03-4
Multi CAS
No
Molecular Formula
C11H18CLN3
Molecular Weight
227.730000
Exact Mass
227.118925
InChI
InChI=1S/C11H18ClN3/c1-10(2,3)7-13-8(11(4,5)6)15-9(12)14-7/h1-6H3
InChIKey
VQGDXNFMWSFZSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.24
TPSA
38.67

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
4.3
Consensus LogP
3.39
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

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

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