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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
897671-79-3 / 4-naphthalen-2-yl-N-phenylaniline
Basic Information
CAS
897671-79-3
Multi CAS
No
Molecular Formula
C22H17N
Molecular Weight
295.400000
Exact Mass
295.136100
InChI
InChI=1S/C22H17N/c1-2-8-21(9-3-1)23-22-14-12-18(13-15-22)20-11-10-17-6-4-5-7-19(17)16-20/h1-16,23H
InChIKey
DWOMBPYCHOPPQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
99.11
TPSA
12.03
LogP / Solubility
WLOGP
6.25
MLOGP
5.51
XLogP3
6.3
Consensus LogP
6.02
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
![CAS 897671-71-5 Di([1,1′:3′,1”-terphenyl]-4-yl)amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5811-jpgcontextbwfzdgvyfhjvb3r8mtuznzj8aw1hz2uvanblz3xoytmvadq4lzkxotm3oteznty5ntgvrdu4mteuanbnfguyntlmmtiyngy3yjbky2flyjq1ntcxytuzmjzmyjfjmgq3y2nlodqzogiyzjbmmjjkowzlymvlntu1nzgzywu.jpeg)
![CAS 897921-59-4 N-[4-(1-Naphthyl)phenyl]-4-biphenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n1053-jpgcontextbwfzdgvyfhjvb3r8mza1mtv8aw1hz2uvanblz3xondqvadvjlzg5mze3ndgyodizotgvtjewntmuanbnfge2zdljnddiyzzhntqxnduxyja2njyxogyymtqyngnhyjblnzk0mji2ztyxmgnlzjyxmza3ywiwnmvjytnmoti.jpeg)