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CAS 1032231-30-3 5-Bromo-2-cyanophenylboronic acid molecular structure lightbox
CAS RN: 1032231-30-3

5-Bromo-2-cyanophenylboronic acid

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250619 1g In stock Shanghai Inquiry
Batchno.20250831 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-004652
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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: 1g
  • 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 1032231-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1032231-30-3 / (5-bromo-2-cyanophenyl)boronic acid

5-Bromo-2-cyanophenylboronic acid | (5-Bromo-2-cyanophenyl)boronic acid | MFCD10696674

Standard CAS: 1032231-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1032231-30-3
Multi CAS
No
Molecular Formula
C7H5BBrNO2
Molecular Weight
225.840000
Exact Mass
224.959670
SMILES
B(C1=C(C=CC(=C1)Br)C#N)(O)O
InChI
InChI=1S/C7H5BBrNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,11-12H
InChIKey
BVCIFFSGTUEHOP-UHFFFAOYSA-N
Synonyms
5-Bromo-2-cyanophenylboronic acid (5-Bromo-2-cyanophenyl)boronic acid MFCD10696674 (5-Bromo-2-cyano-phenyl)boronic acid (5-Bromo-2-cyanophenyl)boronicacid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.68
TPSA
64.25

LogP / Solubility

Consensus LogP
0.0000
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-4.1

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

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