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CAS 1025736-43-9 (3′,4′-Dichloro-[1,1′-biphenyl]-4-yl)boronic acid molecular structure lightbox
CAS RN: 1025736-43-9

(3′,4′-Dichloro-[1,1′-biphenyl]-4-yl)boronic acid

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260312 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250821 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20251015 1g In stock Shanghai Inquiry
Batchno.20250531 250mg In stock Shenzhen, Wuhan Inquiry
Batchno.20260413 5g Out of stock Inquiry
  • Product code: SSC-003844
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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 1025736-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1025736-43-9 / [4-(3,4-dichlorophenyl)phenyl]boronic acid

(3',4'-Dichloro-[1,1'-biphenyl]-4-yl)boronic acid | MFCD08544390 | [4-(3,4-dichlorophenyl)phenyl]boronic acid

Standard CAS: 1025736-43-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1025736-43-9
Multi CAS
Yes
Molecular Formula
C12H9BCl2O2
Molecular Weight
266.900000
Exact Mass
266.007265
SMILES
B(C1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)(O)O
InChI
InChI=1S/C12H9BCl2O2/c14-11-6-3-9(7-12(11)15)8-1-4-10(5-2-8)13(16)17/h1-7,16-17H
InChIKey
HKWYWWYEYYTNGU-UHFFFAOYSA-N
Synonyms
(3',4'-Dichloro-[1,1'-biphenyl]-4-yl)boronic acid MFCD08544390 [4-(3,4-dichlorophenyl)phenyl]boronic acid 3',4'-DICHLORO-4-BIPHENYLBORONIC ACID C12H9BCl2O2

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.72
TPSA
40.46

LogP / Solubility

WLOGP
2.34
MLOGP
2.07
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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