CAS RN: 89642-24-0
2-aMino-5-broMo-4-nitrobenzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250129 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM926409
89642-24-0 / 2-amino-5-bromo-4-nitrobenzoic acid
Basic Information
CAS
89642-24-0
Multi CAS
No
Molecular Formula
BC7H5O4Rn2
Molecular Weight
261.030000
Exact Mass
259.943270
InChI
InChI=1S/C7H5BrN2O4/c8-4-1-3(7(11)12)5(9)2-6(4)10(13)14/h1-2H,9H2,(H,11,12)
InChIKey
SZJSDVMUPOFTCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.17
TPSA
106.46
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.8
Consensus LogP
1.63
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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