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CAS 59336-36-6 2,4-dichloro-6-(naphthalen-1-yl)-1,3,5-triazine molecular structure lightbox
CAS RN: 59336-36-6

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

  • Product code: SSC-167805
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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 59336-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

59336-36-6 / 2,4-dichloro-6-naphthalen-1-yl-1,3,5-triazine

Standard CAS: 59336-36-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59336-36-6
Multi CAS
Yes
Molecular Formula
C13H7CL2N3
Molecular Weight
276.120000
Exact Mass
275.001703
InChI
InChI=1S/C13H7Cl2N3/c14-12-16-11(17-13(15)18-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
ZULQIPWJEFVQHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.79
TPSA
38.67

LogP / Solubility

WLOGP
4
MLOGP
3.53
XLogP3
4.8
Consensus LogP
4.11
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

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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