CAS RN: 35572-78-2
2-AMINO-4,6-DINITROTOLUENE
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260509 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35572-78-2
- Purity/Analytical Methods: >99.0%
35572-78-2 / 2-methyl-3,5-dinitroaniline
Basic Information
CAS
35572-78-2
Multi CAS
No
Molecular Formula
C7H7N3O4
Molecular Weight
197.150000
Exact Mass
197.043656
InChI
InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3
InChIKey
IEEJAAUSLQCGJH-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid; [DOD] Yellow powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.9
TPSA
112.3
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
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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