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CAS 4460-86-0 2,4,5-Trimethoxybenzaldehyde molecular structure lightbox
CAS RN: 4460-86-0

2,4,5-Trimethoxybenzaldehyde

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251123 50mg In stock Inquiry
  • Product code: SSC-152647
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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, 10g, 25g, 100g
  • 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 4460-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

4460-86-0 / 2,4,5-trimethoxybenzaldehyde

Standard CAS: 4460-86-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4460-86-0
Multi CAS
No
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
InChIKey
IAJBQAYHSQIQRE-UHFFFAOYSA-N

Physical Properties

Melting Point
234 to 237 °F (NTP, 1992) 114 °C
Boiling Point
284 °F at 4 mmHg (Sublimes) (NTP, 1992)
Physical Description
2,4,5-trimethoxybenzaldehyde is a beige powder. (NTP, 1992) Beige solid; [CAMEO] White to pale brown solid; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
51.49
TPSA
44.76

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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