CAS RN: 7696-70-0
4-(Dimethylamino)-4′-nitrosodiphenylamine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 1g | In stock | Shanghai | Inquiry |
- Product code: ICTD3571
- Purity/Analytical Methods: >96.0%(HPLC)
7696-70-0 / 4-N,4-N-dimethyl-1-N-(4-nitrosophenyl)benzene-1,4-diamine
Basic Information
CAS
7696-70-0
Multi CAS
No
Molecular Formula
C14H15N3O
Molecular Weight
241.290000
Exact Mass
241.121512
InChI
InChI=1S/C14H15N3O/c1-17(2)14-9-7-12(8-10-14)15-11-3-5-13(16-18)6-4-11/h3-10,15H,1-2H3
InChIKey
RCBYEFZWZHPVCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.95
TPSA
44.7
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
3
Consensus LogP
3.44
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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