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CAS 851030-18-7 2,4-Bis(benzyloxy)-6-chloro-1,3,5-triazine molecular structure lightbox
CAS RN: 851030-18-7

2,4-Bis(benzyloxy)-6-chloro-1,3,5-triazine

  • Product code: SSC-193151
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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 851030-18-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

851030-18-7 / 2-chloro-4,6-bis(phenylmethoxy)-1,3,5-triazine

Standard CAS: 851030-18-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851030-18-7
Multi CAS
No
Molecular Formula
C17H14CLN3O2
Molecular Weight
327.800000
Exact Mass
327.077454
InChI
InChI=1S/C17H14ClN3O2/c18-15-19-16(22-11-13-7-3-1-4-8-13)21-17(20-15)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
XKDFUXJROYAXAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
86.39
TPSA
57.13

LogP / Solubility

WLOGP
3.68
MLOGP
3.26
XLogP3
4.5
Consensus LogP
3.81
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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