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CAS 76832-37-6 Tris(2,4-dimethoxyphenyl)methanol molecular structure lightbox
CAS RN: 76832-37-6

Tris(2,4-dimethoxyphenyl)methanol

  • Product code: SSC-186250
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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 76832-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

76832-37-6 / tris(2,4-dimethoxyphenyl)methanol

Standard CAS: 76832-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76832-37-6
Multi CAS
No
Molecular Formula
C25H28O7
Molecular Weight
440.500000
Exact Mass
440.183503
InChI
InChI=1S/C25H28O7/c1-27-16-7-10-19(22(13-16)30-4)25(26,20-11-8-17(28-2)14-23(20)31-5)21-12-9-18(29-3)15-24(21)32-6/h7-15,26H,1-6H3
InChIKey
SBBUIJKOSQBPNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
120.74
TPSA
75.61

LogP / Solubility

WLOGP
4.02
MLOGP
3.57
XLogP3
4
Consensus LogP
3.86
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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