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CAS 153624-44-3 4-ISOBUTOXYPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 153624-44-3

4-ISOBUTOXYPHENYLBORONIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-063027
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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: ≥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 153624-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

153624-44-3 / [4-(2-methylpropoxy)phenyl]boronic acid

Standard CAS: 153624-44-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153624-44-3
Multi CAS
No
Molecular Formula
C10H15BO3
Molecular Weight
194.040000
Exact Mass
194.111425
SMILES
B(C1=CC=C(C=C1)OCC(C)C)(O)O
InChI
InChI=1S/C10H15BO3/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8,12-13H,7H2,1-2H3
InChIKey
UCIPLLNDFCCBAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.6
TPSA
49.69

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.62

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

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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