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CAS 507462-90-0 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol molecular structure lightbox
CAS RN: 507462-90-0

3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

  • Product code: SSC-157468
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 10
  • 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 507462-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g -- 3 In Stock Shenzhen Inquiry
10g >95% 3 In Stock Hong Kong Inquiry

507462-90-0 / 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Standard CAS: 507462-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
507462-90-0
Multi CAS
No
Molecular Formula
BC14H21O3
Molecular Weight
248.130000
Exact Mass
248.158375
InChI
InChI=1S/C14H21BO3/c1-9-7-11(16)8-10(2)12(9)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChIKey
ZCBINMYCBLXSBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.3
TPSA
38.69

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.59

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

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