[email protected]
CAS 86-81-7 3,4,5-Trimethoxybenzaldehyde molecular structure lightbox
CAS RN: 86-81-7

3,4,5-Trimethoxybenzaldehyde

  • Product code: SSC-194758
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 86-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 3 In Stock Shenzhen Inquiry
100g ≥98% 2 In Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

86-81-7 / 3,4,5-trimethoxybenzaldehyde

Standard CAS: 86-81-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
86-81-7
Multi CAS
No
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
InChIKey
OPHQOIGEOHXOGX-UHFFFAOYSA-N

Physical Properties

Physical Description
Light yellow flakes

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
0.9
Consensus LogP
1.25
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

Customers Also Viewed

Get In Touch

Contact Us