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CAS 171364-79-7 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anisole molecular structure lightbox
CAS RN: 171364-79-7

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)anisole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-075486
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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: >98%
  • Inventory rows with stock: 4
  • 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 171364-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 2 In Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Shanghai Inquiry
500g >98% 0 Out of Stock Beijing Inquiry

171364-79-7 / 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 171364-79-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
171364-79-7
Multi CAS
No
Molecular Formula
C13H19BO3
Molecular Weight
234.100000
Exact Mass
234.142725
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9H,1-5H3
InChIKey
VFIKPDSQDNROGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.71
TPSA
27.69

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.99
Consensus LogP
1.91
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.73

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
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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