CAS RN: 37066-92-5
5-Amino-2-methyl-4-nitrophenol
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.20251016 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA888110
37066-92-5 / 5-amino-2-methyl-4-nitrophenol
Basic Information
CAS
37066-92-5
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c1-4-2-6(9(11)12)5(8)3-7(4)10/h2-3,10H,8H2,1H3
InChIKey
RYICSBHZVUJCBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.91
TPSA
89.39
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.6
Consensus LogP
1.28
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.9
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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