[email protected]
CAS 118062-05-8 2,3,4-Trimethoxyphenylboronic acid molecular structure lightbox
CAS RN: 118062-05-8

2,3,4-Trimethoxyphenylboronic acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-017902
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: 1g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 8
  • 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 118062-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g ≥98% 5 In Stock Hong Kong Inquiry
5g -- 3 In Stock Shanghai Inquiry
5g ≥98% 3 In Stock Shenzhen Inquiry
10g -- 2 In Stock Shenzhen Inquiry
10g ≥98% 2 In Stock Shenzhen Inquiry
25g -- 2 In Stock Shanghai Inquiry
25g ≥98% 2 In Stock Shenzhen Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
1000g -- 0 Out of Stock Hong Kong Inquiry

118062-05-8 / (2,3,4-trimethoxyphenyl)boronic acid

2,3,4-Trimethoxybenzeneboronic acid | RefChem:441737 | 681-179-8

Standard CAS: 118062-05-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118062-05-8
Multi CAS
Yes
Molecular Formula
C9H13BO5
Molecular Weight
212.010000
Exact Mass
212.085604
SMILES
B(C1=C(C(=C(C=C1)OC)OC)OC)(O)O
InChI
InChI=1S/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
InChIKey
LDQLSQRFSNMANA-UHFFFAOYSA-N
Synonyms
2,3,4-Trimethoxybenzeneboronic acid RefChem:441737 681-179-8 2,3,4-Trimethoxyphenylboronic acid (2,3,4-trimethoxyphenyl)boronic Acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
55.92
TPSA
68.15

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.53
XLogP3
-0.61
Consensus LogP
-0.58
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.44

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us