[email protected]
CAS 1247124-77-1 2-chloro-4,6-di(naphthalen-2-yl)-1,3,5-triazine molecular structure lightbox
CAS RN: 1247124-77-1

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

  • Product code: SSC-028844
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1247124-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1247124-77-1 / 2-chloro-4,6-dinaphthalen-2-yl-1,3,5-triazine

Standard CAS: 1247124-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247124-77-1
Multi CAS
No
Molecular Formula
C23H14ClN3
Molecular Weight
367.800000
Exact Mass
367.087625
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC(=N3)Cl)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C23H14ClN3/c24-23-26-21(19-11-9-15-5-1-3-7-17(15)13-19)25-22(27-23)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKey
CNJJVLLNTJDXEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
3
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
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us