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CAS 206763-93-1 (4-Dodecylphenyl)boronic acid molecular structure lightbox
CAS RN: 206763-93-1

(4-Dodecylphenyl)boronic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250809 100mg In stock Inquiry
Batchno.20250715 1g In stock Inquiry
Batchno.20251203 250mg In stock Inquiry
  • Product code: SSC-097384
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 206763-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

206763-93-1 / (4-dodecylphenyl)boronic acid

Standard CAS: 206763-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206763-93-1
Multi CAS
No
Molecular Formula
C18H31BO2
Molecular Weight
290.300000
Exact Mass
290.241710
SMILES
B(C1=CC=C(C=C1)CCCCCCCCCCCC)(O)O
InChI
InChI=1S/C18H31BO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(20)21/h13-16,20-21H,2-12H2,1H3
InChIKey
KCHSXQBUASGIPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
91.82
TPSA
40.46

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
3.83
Consensus LogP
3.68
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble

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)
-1.77

Drug-likeness / Medicinal Chemistry

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

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