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CAS 1188335-75-2 4-Hydroxy-3-isopropylphenylboronic acid pinacol ester molecular structure lightbox
CAS RN: 1188335-75-2

4-Hydroxy-3-isopropylphenylboronic acid pinacol ester

  • Product code: SSC-019060
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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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 1188335-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

1188335-75-2 / 2-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2-ISOPROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL | 4-Hydroxy-3-isopropylphenylboronic acid pinacol ester | MFCD16994212

Standard CAS: 1188335-75-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188335-75-2
Multi CAS
Yes
Molecular Formula
C15H23BO3
Molecular Weight
262.150000
Exact Mass
262.174025
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)C(C)C
InChI
InChI=1S/C15H23BO3/c1-10(2)12-9-11(7-8-13(12)17)16-18-14(3,4)15(5,6)19-16/h7-10,17H,1-6H3
InChIKey
SPMJGWSQBFTIGG-UHFFFAOYSA-N
Synonyms
2-ISOPROPYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL 4-Hydroxy-3-isopropylphenylboronic acid pinacol ester MFCD16994212 2-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SCHEMBL1860322

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.91
TPSA
38.69

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.81
Consensus LogP
2.7
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.32

Drug-likeness / Medicinal Chemistry

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

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