CAS 78941-32-9 2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine molecular structure

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CAS RN: 78941-32-9

2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine

Product code: SSC-188177

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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: ≥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 78941-32-9
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥97%	0 Out of Stock	Shanghai	Inquiry

78941-32-9 / 2-chloro-4,6-dinaphthalen-1-yl-1,3,5-triazine

Standard CAS: 78941-32-9 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

78941-32-9

Multi CAS

Molecular Formula

C23H14CLN3

Molecular Weight

367.800000

Exact Mass

367.087625

InChI

InChI=1S/C23H14ClN3/c24-23-26-21(19-13-5-9-15-7-1-3-11-17(15)19)25-22(27-23)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

InChIKey

KQKCYBIGRDRFJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

Molar refractivity

110.72

TPSA

38.67

LogP / Solubility

WLOGP

6.17

MLOGP

5.45

XLogP3

6.8

Consensus LogP

6.14

Log S (ESOL)

-6.59

Class (ESOL)

Insoluble

Log S (Ali)

-7.03

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-7.41

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-0.59

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

3.5

2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine

Historical Supply Reference

Reference Pack Sizes

78941-32-9 / 2-chloro-4,6-dinaphthalen-1-yl-1,3,5-triazine

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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