CAS RN: 6065-27-6
N,N-DIETHYL-P-PHENYLENEDIAMINE SULFATE
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.20250101 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS6065-27-6
- Purity/Analytical Methods: >99.0%
6065-27-6 / 4-N,4-N-diethylbenzene-1,4-diamine;sulfuric acid
Basic Information
CAS
6065-27-6
Multi CAS
No
Molecular Formula
C10H18N2O4S
Molecular Weight
262.330000
Exact Mass
262.098728
InChI
InChI=1S/C10H16N2.H2O4S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-5(2,3)4/h5-8H,3-4,11H2,1-2H3;(H2,1,2,3,4)
InChIKey
AYLDJQABCMPYEN-UHFFFAOYSA-N
Physical Properties
Physical Description
Light pink odorless solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
68.59
TPSA
103.86
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.46
Consensus LogP
1.4
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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