CAS RN: 75985-47-6
Benzenemethanamine, 5-methyl-2-nitro-
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.20250809 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS75985-47-6
- Purity/Analytical Methods: >99.0%
75985-47-6 / (5-methyl-2-nitrophenyl)methanamine
Basic Information
CAS
75985-47-6
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
InChI
InChI=1S/C8H10N2O2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,5,9H2,1H3
InChIKey
RJYGJNVRQVWPSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.72
TPSA
69.16
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1
Consensus LogP
1.18
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.77
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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