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CAS 1072944-97-8 (E)-3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylic acid molecular structure lightbox
CAS RN: 1072944-97-8

(E)-3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylic acid

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250605 1g In stock Shandong Inquiry
Batchno.20250820 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250101 1g In stock Inquiry
Batchno.20251211 250mg In stock Inquiry
Batchno.20260228 5g In stock Inquiry
  • Product code: SSC-008770
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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, 0.1g, 0.25g, 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 1072944-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

1072944-97-8 / (E)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoic acid

(E)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACRYLIC ACID | (E)-4-(2-Carboxyvinyl)phenylboronic Acid Pinacol Ester | 4-(E-2-Carboxyvinyl)phenylboronic acid pinacol ester

Standard CAS: 1072944-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072944-97-8
Multi CAS
Yes
Molecular Formula
C15H19BO4
Molecular Weight
274.120000
Exact Mass
274.137639
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C15H19BO4/c1-14(2)15(3,4)20-16(19-14)12-8-5-11(6-9-12)7-10-13(17)18/h5-10H,1-4H3,(H,17,18)/b10-7+
InChIKey
LNNZFLJPNKVNCC-JXMROGBWSA-N
Synonyms
(E)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACRYLIC ACID (E)-4-(2-Carboxyvinyl)phenylboronic Acid Pinacol Ester 4-(E-2-Carboxyvinyl)phenylboronic acid pinacol ester MFCD11053843 C15H19BO4

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.83
TPSA
55.76

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
2.08
Consensus LogP
2
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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