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CAS 1919-15-9 2,4,6-tris(4-formylphenoxy)-1,3,5-triazine molecular structure lightbox
CAS RN: 1919-15-9

2,4,6-tris(4-formylphenoxy)-1,3,5-triazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260405 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1919-15-9
  • Purity/Analytical Methods: >99.0%
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1919-15-9 / 1-[4-[[4,6-bis(4-acetylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone

Standard CAS: 1919-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1919-15-9
Multi CAS
No
Molecular Formula
C27H21N3O6
Molecular Weight
483.500000
Exact Mass
483.143035
SMILES
CC(=O)C1=CC=C(C=C1)OC2=NC(=NC(=N2)OC3=CC=C(C=C3)C(=O)C)OC4=CC=C(C=C4)C(=O)C
InChI
InChI=1S/C27H21N3O6/c1-16(31)19-4-10-22(11-5-19)34-25-28-26(35-23-12-6-20(7-13-23)17(2)32)30-27(29-25)36-24-14-8-21(9-15-24)18(3)33/h4-15H,1-3H3
InChIKey
IDUIFIFZSHAOJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
9
H-bond acceptors
9
Molar refractivity
129.39
TPSA
117.57

LogP / Solubility

WLOGP
5.86
MLOGP
5.19
XLogP3
4.6
Consensus LogP
5.22
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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