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CAS 20469-61-8 2,3,5-Trimethylanisole molecular structure lightbox
CAS RN: 20469-61-8

2,3,5-Trimethylanisole

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250607 10g In stock Shanghai Inquiry
Batchno.20250123 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260112 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-096353
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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, 25g, 100g
  • 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 20469-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

20469-61-8 / 1-methoxy-2,3,5-trimethylbenzene

Standard CAS: 20469-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20469-61-8
Multi CAS
No
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
SMILES
CC1=CC(=C(C(=C1)OC)C)C
InChI
InChI=1S/C10H14O/c1-7-5-8(2)9(3)10(6-7)11-4/h5-6H,1-4H3
InChIKey
AWONIZVBKXHWJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.21
TPSA
9.23

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
3
Consensus LogP
2.64
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-1.78

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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