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CAS 1107603-42-8 (3′-chloro-[1,1′-biphenyl]-3-yl)boronic acid molecular structure lightbox
CAS RN: 1107603-42-8

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011700
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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 1107603-42-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1107603-42-8 / [3-(3-chlorophenyl)phenyl]boronic acid

(3'-Chloro-[1,1'-biphenyl]-3-yl)boronic acid | [3-(3-chlorophenyl)phenyl]boronic acid | MFCD08701737

Standard CAS: 1107603-42-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1107603-42-8
Multi CAS
No
Molecular Formula
C12H10BClO2
Molecular Weight
232.470000
Exact Mass
232.046237
SMILES
B(C1=CC(=CC=C1)C2=CC(=CC=C2)Cl)(O)O
InChI
InChI=1S/C12H10BClO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8,15-16H
InChIKey
JMYLBKPHIHRJDY-UHFFFAOYSA-N
Synonyms
(3'-Chloro-[1,1'-biphenyl]-3-yl)boronic acid [3-(3-chlorophenyl)phenyl]boronic acid MFCD08701737 (3'-chloro-[1,1'-biphenyl]-3-yl)boronicacid {3'-chloro-[1,1'-biphenyl]-3-yl}boronic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.71
TPSA
40.46

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.69
Consensus LogP
1.62
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

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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