CAS RN: 730-11-0
4-methoxy-N-(4-nitrophenyl)benzenamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260517 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS730-11-0
- Purity/Analytical Methods: >99.0%
730-11-0 / N-(4-methoxyphenyl)-4-nitroaniline
Basic Information
CAS
730-11-0
Multi CAS
No
Molecular Formula
C13H12N2O3
Molecular Weight
244.250000
Exact Mass
244.084792
InChI
InChI=1S/C13H12N2O3/c1-18-13-8-4-11(5-9-13)14-10-2-6-12(7-3-10)15(16)17/h2-9,14H,1H3
InChIKey
YKTYQEDBWQCKII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.37
TPSA
64.4
LogP / Solubility
WLOGP
3.35
MLOGP
2.95
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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