CAS RN: 1009-22-9
2′-Bromo-4′-fluoroacetanilide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251216 | 25g / 100g / 500g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTB2721
- Purity/Analytical Methods: >98.0%(GC)
1009-22-9 / N-(2-bromo-4-fluorophenyl)acetamide
N-(2-bromo-4-fluorophenyl)acetamide | JAVSBNOXENOHEI-UHFFFAOYSA- | DTXSID40350819
Basic Information
CAS
1009-22-9
Multi CAS
No
Molecular Formula
C8H7BrFNO
Molecular Weight
232.050000
Exact Mass
230.969500
SMILES
CC(=O)NC1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChIKey
JAVSBNOXENOHEI-UHFFFAOYSA-N
Synonyms
N-(2-bromo-4-fluorophenyl)acetamide
JAVSBNOXENOHEI-UHFFFAOYSA-
DTXSID40350819
RefChem:825067
DTXCID40301886
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.4
TPSA
29.1
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2
Consensus LogP
2.26
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (86.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
