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CAS 1451391-43-7 4-cyano-2,6-dimethylphenylboronic acid molecular structure lightbox
CAS RN: 1451391-43-7

4-cyano-2,6-dimethylphenylboronic acid

  • Product code: SSC-056527
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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, 5g, 1g
  • Available purity: >95%
  • 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 1451391-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 4 In Stock Shenzhen Inquiry
5g >95% 4 In Stock Shenzhen Inquiry
1g >95% 3 In Stock Shanghai Inquiry

1451391-43-7 / (4-cyano-2,6-dimethylphenyl)boronic acid

Standard CAS: 1451391-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1451391-43-7
Multi CAS
No
Molecular Formula
C9H10BNO2
Molecular Weight
174.990000
Exact Mass
175.080459
SMILES
B(C1=C(C=C(C=C1C)C#N)C)(O)O
InChI
InChI=1S/C9H10BNO2/c1-6-3-8(5-11)4-7(2)9(6)10(12)13/h3-4,12-13H,1-2H3
InChIKey
JTJKZJPBCISPOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.46
TPSA
64.25

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
XLogP3
-0.15
Consensus LogP
-0.14
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-3.89

Drug-likeness / Medicinal Chemistry

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

Applications of CAS 1451391-43-7

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1451391-43-7 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.

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