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CAS 179942-51-9 4-(Hydroxyimino)methylphenylboronic acid molecular structure lightbox
CAS RN: 179942-51-9

4-(Hydroxyimino)methylphenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-080265
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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: 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 179942-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

179942-51-9 / [4-[(E)-hydroxyiminomethyl]phenyl]boronic acid

Standard CAS: 179942-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179942-51-9
Multi CAS
No
Molecular Formula
C7H8BNO3
Molecular Weight
164.960000
Exact Mass
165.059723
SMILES
B(C1=CC=C(C=C1)/C=N/O)(O)O
InChI
InChI=1S/C7H8BNO3/c10-8(11)7-3-1-6(2-4-7)5-9-12/h1-5,10-12H/b9-5+
InChIKey
BHSGANPJSINVBL-WEVVVXLNSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
45.65
TPSA
73.05

LogP / Solubility

WLOGP
-0.83
MLOGP
-0.73
XLogP3
-0.83
Consensus LogP
-0.8
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.31

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

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