CAS RN: 55432-23-0
N-cyclopropyl-2-nitroaniline
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.20260416 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55432-23-0
- Purity/Analytical Methods: >99.0%
55432-23-0 / N-cyclopropyl-2-nitroaniline
Basic Information
CAS
55432-23-0
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
InChI
InChI=1S/C9H10N2O2/c12-11(13)9-4-2-1-3-8(9)10-7-5-6-7/h1-4,7,10H,5-6H2
InChIKey
NPKZHUINIYQERL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.74
TPSA
55.17
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.7
Consensus LogP
2.26
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.27
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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