CAS RN: 80223-29-6
N,N’-Diphenyl-N,N’-di(m-tolyl)-1,4-phenylenediamine
- Product code: SSC-189169
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
80223-29-6 / 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
Basic Information
CAS
80223-29-6
Multi CAS
No
Molecular Formula
C32H28N2
Molecular Weight
440.600000
Exact Mass
440.225249
InChI
InChI=1S/C32H28N2/c1-25-11-9-17-31(23-25)33(27-13-5-3-6-14-27)29-19-21-30(22-20-29)34(28-15-7-4-8-16-28)32-18-10-12-26(2)24-32/h3-24H,1-2H3
InChIKey
ZWZXDJMNYGRYNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
145.28
TPSA
6.48
LogP / Solubility
WLOGP
9.24
MLOGP
8.16
XLogP3
9.1
Consensus LogP
8.83
Log S (ESOL)
-8.65
Class (ESOL)
Insoluble
Log S (Ali)
-9.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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