[email protected]
CAS 94839-07-3 3,4-(Methylenedioxy)phenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 94839-07-3

3,4-(Methylenedioxy)phenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250917 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing 8-10 business days Inquiry
  • Product code: SSC-210047
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, 10g, 25g, 5g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • 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 94839-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 4 In Stock Hong Kong Inquiry
100g ≥98% 2 In Stock Beijing Inquiry

94839-07-3 / 1,3-benzodioxol-5-ylboronic acid

Standard CAS: 94839-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94839-07-3
Multi CAS
No
Molecular Formula
BC7H7O4
Molecular Weight
165.940000
Exact Mass
166.043739
InChI
InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2
InChIKey
CMHPUBKZZPSUIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.39
TPSA
58.92

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.8
XLogP3
-0.9
Consensus LogP
-0.87
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.11
Class (SILICOS-IT)
Very 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)
-4.37

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