CAS RN: 1000504-19-7
4-acetonitrile-4′-diphenylamino) biphenyl
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251219 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260325 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250320 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250219 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20260326 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1000504-19-7
- Purity/Analytical Methods: >99.0%
1000504-19-7 / 2-[4-[4-(N-phenylanilino)phenyl]phenyl]acetonitrile
2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile | 1000504-19-7 | 2-[4-[4-(N-phenylanilino)phenyl]phenyl]acetonitrile
Basic Information
CAS
1000504-19-7
Multi CAS
No
Molecular Formula
C26H20N2
Molecular Weight
360.400000
Exact Mass
360.162649
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)CC#N
InChI
InChI=1S/C26H20N2/c27-20-19-21-11-13-22(14-12-21)23-15-17-26(18-16-23)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18H,19H2
InChIKey
KZXLEMCJJXTCCC-UHFFFAOYSA-N
Synonyms
2-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acetonitrile
1000504-19-7
2-[4-[4-(N-phenylanilino)phenyl]phenyl]acetonitrile
MFCD09924369
XH1431
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
115.88
TPSA
27.03
LogP / Solubility
WLOGP
6.89
MLOGP
6.08
XLogP3
6.4
Consensus LogP
6.46
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
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)
-0.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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