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CAS 1916-07-0 Methyl 3,4,5-Trimethoxybenzoate molecular structure lightbox
CAS RN: 1916-07-0

Methyl 3,4,5-Trimethoxybenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260315 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-089730
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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, 500g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 1916-07-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 2 In Stock Beijing Inquiry
500g ≥98% 2 In Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
1000g ≥98% 0 Out of Stock Shanghai Inquiry

1916-07-0 / methyl 3,4,5-trimethoxybenzoate

Standard CAS: 1916-07-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1916-07-0
Multi CAS
No
Molecular Formula
C11H14O5
Molecular Weight
226.230000
Exact Mass
226.084124
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OC
InChI
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKey
KACHFMOHOPLTNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
57.44
TPSA
53.99

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-3.04

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 12 of 12 companies. For more detailed information, please visit ECHA C&L website.

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