[email protected]
CAS 89598-97-0 (5-BROMO-2-HYDROXY)BENZENEBORONIC ACID molecular structure lightbox
CAS RN: 89598-97-0

(5-BROMO-2-HYDROXY)BENZENEBORONIC ACID

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251016 1g In stock Inquiry
Batchno.20250401 250mg In stock Inquiry
Batchno.20250806 5g In stock Inquiry
  • Product code: starshine_CAS89598-97-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

89598-97-0 / (5-bromo-2-hydroxyphenyl)boronic acid

Standard CAS: 89598-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89598-97-0
Multi CAS
No
Molecular Formula
C6H6BBRO3
Molecular Weight
216.830000
Exact Mass
215.959340
InChI
InChI=1S/C6H6BBrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
InChIKey
XSXTWLOHAGPBNO-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
45.63
TPSA
60.69

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.14
XLogP3
-0.17
Consensus LogP
-0.16
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-4.16

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