[email protected]
CAS 889939-21-3 PHENOL, 2-AMINO-4-BROMO-3-FLUORO molecular structure lightbox
CAS RN: 889939-21-3

PHENOL, 2-AMINO-4-BROMO-3-FLUORO

  • Product code: SSC-200721
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
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 889939-21-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shenzhen Inquiry

889939-21-3 / 2-amino-4-bromo-3-fluorophenol

Standard CAS: 889939-21-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889939-21-3
Multi CAS
No
Molecular Formula
BC6H5NORf
Molecular Weight
206.010000
Exact Mass
204.953850
InChI
InChI=1S/C6H5BrFNO/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H,9H2
InChIKey
OADUHRSZWRRMSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.18
TPSA
46.25

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.64

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