CAS RN: 587-84-8
Diphenylamine Sulfate
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250607 | 100g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20250616 | 1g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
| Batchno.20250907 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20250506 | 500g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20251227 | 5g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTD0875
- Purity/Analytical Methods: >98.0%(T)(HPLC)
587-84-8 / N-phenylaniline;sulfuric acid
Basic Information
CAS
587-84-8
Multi CAS
No
Molecular Formula
C12H13NO4S
Molecular Weight
267.300000
Exact Mass
267.056529
InChI
InChI=1S/C12H11N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H;(H2,1,2,3,4)
InChIKey
IPZMDJYHJNHGML-UHFFFAOYSA-N
Physical Properties
Melting Point
125 °C
Physical Description
White to yellowish solid; [Merck Index] Slightly yellow powder
Appearance
WHITE TO YELLOWISH POWDER
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
70.34
TPSA
86.63
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.78
Consensus LogP
2.67
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
