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CAS 1046861-20-4 (4-Bromo-2-chlorophenyl)boronic acid molecular structure lightbox
CAS RN: 1046861-20-4

(4-Bromo-2-chlorophenyl)boronic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-006453
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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: ＞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 1046861-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1046861-20-4 / (4-bromo-2-chlorophenyl)boronic acid

4-Bromo-2-chlorophenylboronic acid | RefChem:519627 | 805-017-4

Standard CAS: 1046861-20-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1046861-20-4
Multi CAS
No
Molecular Formula
C6H5BBrClO2
Molecular Weight
235.270000
Exact Mass
233.925450
SMILES
B(C1=C(C=C(C=C1)Br)Cl)(O)O
InChI
InChI=1S/C6H5BBrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKey
HVPHTYHDVLGKMO-UHFFFAOYSA-N
Synonyms
4-Bromo-2-chlorophenylboronic acid RefChem:519627 805-017-4 (4-Bromo-2-chlorophenyl)boronic acid MFCD13195646

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.98
TPSA
40.46

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.78
Consensus LogP
0.75
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
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)
-3.6

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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