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CAS 915201-06-8 (4-CHLORO-3-HYDROXYPHENYL)BORONIC ACID molecular structure lightbox
CAS RN: 915201-06-8

(4-CHLORO-3-HYDROXYPHENYL)BORONIC ACID

  • Product code: SSC-204741
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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: 0.25g, 1g, 5g
  • Available purity: ≥98%
  • 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 915201-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Beijing Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

915201-06-8 / (4-chloro-3-hydroxyphenyl)boronic acid

Standard CAS: 915201-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
915201-06-8
Multi CAS
No
Molecular Formula
C6H6BCLO3
Molecular Weight
172.370000
Exact Mass
172.009852
InChI
InChI=1S/C6H6BClO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9-11H
InChIKey
XMMHXKOVZNBHSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
42.94
TPSA
60.69

LogP / Solubility

WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.27
Consensus LogP
-0.26
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-3.97

Drug-likeness / Medicinal Chemistry

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

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