CAS RN: 3572-44-9
2-Methyl-3-amino-5-nitrobenzamide
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.20250403 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3572-44-9
- Purity/Analytical Methods: >99.0%
3572-44-9 / 3-amino-2-methyl-5-nitrobenzamide
Basic Information
CAS
3572-44-9
Multi CAS
No
Molecular Formula
C8H9N3O3
Molecular Weight
195.180000
Exact Mass
195.064391
InChI
InChI=1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)
InChIKey
RBLRQBGOUCRKRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.76
TPSA
112.25
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
XLogP3
0.3
Consensus LogP
0.46
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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