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CAS 61040-78-6 2,4,6-TRIMETHOXYBENZYL ALCOHOL molecular structure lightbox
CAS RN: 61040-78-6

2,4,6-TRIMETHOXYBENZYL ALCOHOL

  • Product code: SSC-169802
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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: 5g
  • 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 61040-78-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

61040-78-6 / (2,4,6-trimethoxyphenyl)methanol

Standard CAS: 61040-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61040-78-6
Multi CAS
No
Molecular Formula
C10H14O4
Molecular Weight
198.220000
Exact Mass
198.089209
InChI
InChI=1S/C10H14O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5,11H,6H2,1-3H3
InChIKey
CFXXBVNHYJQNKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.02
TPSA
47.92

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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