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CAS 1256355-57-3 5-Cyano-2-hydroxyphenylboronic acid molecular structure lightbox
CAS RN: 1256355-57-3

5-Cyano-2-hydroxyphenylboronic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251106 100mg Out of stock 1 business days Inquiry
  • Product code: SSC-030445
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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: 0.25g, 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 1256355-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1256355-57-3 / (5-cyano-2-hydroxyphenyl)boronic acid

Standard CAS: 1256355-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256355-57-3
Multi CAS
No
Molecular Formula
C7H6BNO3
Molecular Weight
162.940000
Exact Mass
163.044073
SMILES
B(C1=C(C=CC(=C1)C#N)O)(O)O
InChI
InChI=1S/C7H6BNO3/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,10-12H
InChIKey
QXWBHAJKEPWEBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
42.65
TPSA
84.48

LogP / Solubility

WLOGP
-1.06
MLOGP
-0.93
XLogP3
-1.06
Consensus LogP
-1.02
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.04
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.46

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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