CAS RN: 198275-79-5
N-Phenyl-3-biphenylamine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-093428
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
198275-79-5 / N,3-diphenylaniline
Basic Information
CAS
198275-79-5
Multi CAS
No
Molecular Formula
C18H15N
Molecular Weight
245.300000
Exact Mass
245.120449
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H15N/c1-3-8-15(9-4-1)16-10-7-13-18(14-16)19-17-11-5-2-6-12-17/h1-14,19H
InChIKey
QJAYWJUCAONYLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
81.6
TPSA
12.03
LogP / Solubility
WLOGP
5.1
MLOGP
4.49
XLogP3
5.5
Consensus LogP
5.03
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
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)
-0.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
