CAS 106556-36-9 2-(2-Hydroxy-4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine molecular structure

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CAS RN: 106556-36-9

2-(2-Hydroxy-4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine

Product code: SSC-008181

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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: ≥98%
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 106556-36-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥98%	0 Out of Stock	Shanghai	Inquiry

106556-36-9 / 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol

2-(2-hydroxy-4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine | Phenol, 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxy- | DTXSID20888827

Standard CAS: 106556-36-9 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

106556-36-9

Multi CAS

Molecular Formula

C22H17N3O2

Molecular Weight

355.400000

Exact Mass

355.132077

SMILES

COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H17N3O2/c1-27-17-12-13-18(19(26)14-17)22-24-20(15-8-4-2-5-9-15)23-21(25-22)16-10-6-3-7-11-16/h2-14,26H,1H3

InChIKey

UUINYPIVWRZHAG-UHFFFAOYSA-N

Synonyms

2-(2-hydroxy-4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine Phenol, 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxy- DTXSID20888827 RefChem:860806 DTXCID101028101

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.05

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

104.35

TPSA

68.13

LogP / Solubility

WLOGP

4.59

MLOGP

4.06

XLogP3

4.6

Consensus LogP

4.42

Log S (ESOL)

-5.33

Class (ESOL)

Slightly soluble

Log S (Ali)

-5.79

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-6.26

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-1.63

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Yes

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

2-(2-Hydroxy-4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine

Historical Supply Reference

Reference Pack Sizes

106556-36-9 / 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methoxyphenol

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

Safety & Transport

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