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CAS 32752-37-7 1,3,5-Tris(4-Methoxyphenyl)-1,3,5-Triazinane molecular structure lightbox
CAS RN: 32752-37-7

1,3,5-Tris(4-Methoxyphenyl)-1,3,5-Triazinane

  • Product code: SSC-138448
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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 32752-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

32752-37-7 / 1,3,5-tris(4-methoxyphenyl)-1,3,5-triazinane

Standard CAS: 32752-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32752-37-7
Multi CAS
No
Molecular Formula
C24H27N3O3
Molecular Weight
405.500000
Exact Mass
405.205242
InChI
InChI=1S/C24H27N3O3/c1-28-22-10-4-19(5-11-22)25-16-26(20-6-12-23(29-2)13-7-20)18-27(17-25)21-8-14-24(30-3)15-9-21/h4-15H,16-18H2,1-3H3
InChIKey
KCXDQGHUQVPUFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
121.02
TPSA
37.41

LogP / Solubility

WLOGP
4.42
MLOGP
3.91
XLogP3
5.7
Consensus LogP
4.68
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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