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CAS 1206969-09-6 2-Amino-5-bromo-4-fluorobenzamide molecular structure lightbox
CAS RN: 1206969-09-6

2-Amino-5-bromo-4-fluorobenzamide

  • Product code: SSC-021795
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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: 1g
  • Available purity: ＞97%
  • 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 1206969-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1206969-09-6 / 2-amino-5-bromo-4-fluorobenzamide

2-Amino-5-bromo-4-fluorobenzamide | MFCD14585387 | C7H6BrFN2O

Standard CAS: 1206969-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1206969-09-6
Multi CAS
Yes
Molecular Formula
C7H6BrFN2O
Molecular Weight
233.040000
Exact Mass
231.964750
SMILES
C1=C(C(=CC(=C1Br)F)N)C(=O)N
InChI
InChI=1S/C7H6BrFN2O/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12)
InChIKey
LOZYEJQTKZHDAD-UHFFFAOYSA-N
Synonyms
2-Amino-5-bromo-4-fluorobenzamide MFCD14585387 C7H6BrFN2O SCHEMBL20327005 2-amino-5-bromo-4-fluoro-benzamide

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.03
TPSA
69.11

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.5
Consensus LogP
1.3
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.24

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

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