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CAS 105365-51-3 4-Butoxyphenylboronic Acid (contains varying amounts of Anhydride) molecular structure lightbox
CAS RN: 105365-51-3

4-Butoxyphenylboronic Acid (contains varying amounts of Anhydride)

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 1g In stock Inquiry
Batchno.20250521 25g In stock Inquiry
Batchno.20250627 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 100g In stock Shanghai Inquiry
Batchno.20250426 10g In stock Shanghai Inquiry
Batchno.20260413 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250401 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251119 25g In stock Shanghai Inquiry
Batchno.20250910 500g In stock Shanghai Inquiry
Batchno.20260511 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-007093
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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 105365-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

105365-51-3 / (4-butoxyphenyl)boronic acid

4-Butoxyphenylboronic acid | DTXSID00397104 | RefChem:520615

Standard CAS: 105365-51-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105365-51-3
Multi CAS
Yes
Molecular Formula
C10H15BO3
Molecular Weight
194.040000
Exact Mass
194.111425
SMILES
B(C1=CC=C(C=C1)OCCCC)(O)O
InChI
InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChIKey
QUPFQMXWFNJUNJ-UHFFFAOYSA-N
Synonyms
4-Butoxyphenylboronic acid DTXSID00397104 RefChem:520615 DTXCID60347963 690-778-3

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.67
TPSA
49.69

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.52

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

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] H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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