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CAS 887585-99-1 (4-bromo-2,6-difluorophenyl)methanamine molecular structure lightbox
CAS RN: 887585-99-1

(4-bromo-2,6-difluorophenyl)methanamine

  • Product code: SSC-200376
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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: 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 887585-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

887585-99-1 / (4-bromo-2,6-difluorophenyl)methanamine

Standard CAS: 887585-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887585-99-1
Multi CAS
No
Molecular Formula
BC7H6NRf2
Molecular Weight
222.030000
Exact Mass
220.965170
InChI
InChI=1S/C7H6BrF2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2
InChIKey
WAJJIVIBRLOHEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.95
TPSA
26.02

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
1.7
Consensus LogP
1.94
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.52

Drug-likeness / Medicinal Chemistry

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

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