[email protected]
CAS 1025496-32-5 B-(3′-Chloro[1,1′-biphenyl]-4-yl)boronic acid molecular structure lightbox
CAS RN: 1025496-32-5

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

  • Product code: SSC-003803
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1025496-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

1025496-32-5 / [4-(3-chlorophenyl)phenyl]boronic acid

3'-chlorobiphenyl-4-boronic acid | [4-(3-chlorophenyl)phenyl]boronic acid | MFCD08544396

Standard CAS: 1025496-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1025496-32-5
Multi CAS
Yes
Molecular Formula
C12H10BClO2
Molecular Weight
232.470000
Exact Mass
232.046237
SMILES
B(C1=CC=C(C=C1)C2=CC(=CC=C2)Cl)(O)O
InChI
InChI=1S/C12H10BClO2/c14-12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15)16/h1-8,15-16H
InChIKey
MHTJADAVSSOHSH-UHFFFAOYSA-N
Synonyms
3'-chlorobiphenyl-4-boronic acid [4-(3-chlorophenyl)phenyl]boronic acid MFCD08544396 (3'-Chloro-[1,1'-biphenyl]-4-yl)boronic acid Boronic acid, B-(3'-chloro[1,1'-biphenyl]-4-yl)-

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

Customers Also Viewed

Get In Touch

Contact Us