CAS RN: 10113-38-9
N-2-(BROMOPHENYL)FORMAMIDE 97
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250812 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS10113-38-9
- Purity/Analytical Methods: >99.0%
10113-38-9 / N-(2-bromophenyl)formamide
2-BROMOFORMANILIDE | RefChem:467262 | 625-157-8
Basic Information
CAS
10113-38-9
Multi CAS
Yes
Molecular Formula
C7H6BrNO
Molecular Weight
200.030000
Exact Mass
198.963280
SMILES
C1=CC=C(C(=C1)NC=O)Br
InChI
InChI=1S/C7H6BrNO/c8-6-3-1-2-4-7(6)9-5-10/h1-5H,(H,9,10)
InChIKey
OHWIHFWQMRBQMV-UHFFFAOYSA-N
Synonyms
2-BROMOFORMANILIDE
RefChem:467262
625-157-8
N-(2-bromophenyl)formamide
Formamide, N-(2-bromophenyl)-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.83
TPSA
29.1
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.51
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501
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