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CAS 1025719-26-9 3,5-Diisopropylphenylboronic Acid Pinacol Ester molecular structure lightbox
CAS RN: 1025719-26-9

3,5-Diisopropylphenylboronic Acid Pinacol Ester

  • Product code: SSC-003838
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 1025719-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g -- 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1025719-26-9 / 2-[3,5-di(propan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,5-DIISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE | 3,5-Diisopropylphenylboronic Acid Pinacol Ester | MFCD12405517

Standard CAS: 1025719-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1025719-26-9
Multi CAS
No
Molecular Formula
C18H29BO2
Molecular Weight
288.200000
Exact Mass
288.226060
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(C)C)C(C)C
InChI
InChI=1S/C18H29BO2/c1-12(2)14-9-15(13(3)4)11-16(10-14)19-20-17(5,6)18(7,8)21-19/h9-13H,1-8H3
InChIKey
FPHIZLUIWBQZFA-UHFFFAOYSA-N
Synonyms
2-(3,5-DIISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE 3,5-Diisopropylphenylboronic Acid Pinacol Ester MFCD12405517 2-[3,5-di(propan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 1,3,2-Dioxaborolane, 2-[3,5-bis(1-methylethyl)phenyl]-4,4,5,5-tetramethyl-

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
90.34
TPSA
18.46

LogP / Solubility

WLOGP
4.23
MLOGP
3.74
XLogP3
4.23
Consensus LogP
4.07
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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