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CAS 164014-95-3 1,4-Benzodioxane-6-boronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 164014-95-3

1,4-Benzodioxane-6-boronic Acid (contains varying amounts of Anhydride)

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100g In stock Shanghai Inquiry
Batchno.20250717 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250314 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260520 1kg In stock Shanghai Inquiry
Batchno.20250116 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20260112 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260203 500g In stock Shanghai Inquiry
Batchno.20250927 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: SSC-071592
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 164014-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
100g >95% 4 In Stock Hong Kong Inquiry
500g >95% 0 Out of Stock Shenzhen Inquiry

164014-95-3 / 2,3-dihydro-1,4-benzodioxin-6-ylboronic acid

Standard CAS: 164014-95-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
164014-95-3
Multi CAS
No
Molecular Formula
C8H9BO4
Molecular Weight
179.970000
Exact Mass
180.059389
SMILES
B(C1=CC2=C(C=C1)OCCO2)(O)O
InChI
InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2
InChIKey
SQDUGGGBJXULJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.26
TPSA
58.92

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.76
XLogP3
-0.86
Consensus LogP
-0.83
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
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)
-4.43

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

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 (97.9%): 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

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