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CAS 146449-90-3 4-Pentyloxyphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 146449-90-3

4-Pentyloxyphenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251229 1g In stock Inquiry
Batchno.20250408 5g Out of stock Inquiry
  • Product code: SSC-057484
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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: 0.1g, 0.25g, 1g, 5g
  • 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 146449-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

146449-90-3 / (4-pentoxyphenyl)boronic acid

Standard CAS: 146449-90-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
146449-90-3
Multi CAS
No
Molecular Formula
C11H17BO3
Molecular Weight
208.060000
Exact Mass
208.127075
SMILES
B(C1=CC=C(C=C1)OCCCCC)(O)O
InChI
InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3
InChIKey
WHFKSJLAGACWMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.29
TPSA
49.69

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-3.33

Drug-likeness / Medicinal Chemistry

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