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CAS 121554-18-5 4′-Pentyl-4-biphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 121554-18-5

4′-Pentyl-4-biphenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260304 100g In stock Shanghai Inquiry
Batchno.20250207 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250102 25g In stock Shanghai Inquiry
Batchno.20250329 500g In stock Shanghai Inquiry
Batchno.20260325 50mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batchno.20260202 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-024093
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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: 25g
  • Available purity: ＞97%
  • 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 121554-18-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

121554-18-5 / [4-(4-pentylphenyl)phenyl]boronic acid

Standard CAS: 121554-18-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121554-18-5
Multi CAS
No
Molecular Formula
C17H21BO2
Molecular Weight
268.200000
Exact Mass
268.163460
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC)(O)O
InChI
InChI=1S/C17H21BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13,19-20H,2-5H2,1H3
InChIKey
QRZCEXCQSFQDMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.93
TPSA
40.46

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.77
Consensus LogP
2.66
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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