![CAS 2687-27-6 1,3-Bis[2-(4-aminophenyl)-2-propyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3853-jpgcontextbwfzdgvyfhjvb3r8mjk3odb8aw1hz2uvanblz3xoy2qvadixlzg5mjg5odgznjq4mzavqjm4ntmuanbnfda3ogjizwu1nwqyoddhywu0ngzinmrjyzflmzmzywi0njviyjjhndrlzdjhogyxztjlnwm1mjriymu1zdkzymm.jpeg)
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2687-27-6 / 4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
Basic Information
CAS
2687-27-6
Multi CAS
No
Molecular Formula
C24H28N2
Molecular Weight
344.500000
Exact Mass
344.225249
SMILES
CC(C)(C1=CC=C(C=C1)N)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)N
InChI
InChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3
InChIKey
KWOIWTRRPFHBSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
112.41
TPSA
52.04
LogP / Solubility
WLOGP
5.5
MLOGP
4.86
XLogP3
6.2
Consensus LogP
5.52
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 13080-89-2 Bis[4-(4-aminophenoxy)phenyl] Sulfone molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane
- CAS RN: 69563-88-8
- Product Code: SSC-179264
-
-
-
-
1,4-Bis(aminomethyl)cyclohexane (cis- and trans- mixture)
- CAS RN: 2549-93-1
- Product Code: SSC-121481
![CAS 13080-89-2 Bis[4-(4-aminophenoxy)phenyl] Sulfone molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1682-jpgcontextbwfzdgvyfhjvb3r8mjcxmzn8aw1hz2uvanblz3xozdivadhklzg5mjg3ndm3mtg5ndivqje2odiuanbnfdm4nzqxmmu4ztrlzwfindg1mgy1mdewy2vmzje1ntm3y2rlzmiwnjqzyji0mmm5mdm4ymq4mjcxm2nlnjy4mme.jpeg)
![CAS 69563-88-8 2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b1398-jpgcontextbwfzdgvyfhjvb3r8mjk5mjr8aw1hz2uvanblz3xoymqvadqylzg5mjg2nja0mji2odyvqjezotguanbnfdbknjixogfhogy5nmyxntmzzjm0mju3ode2ywe4zmqyzde2yjfhmze0mjezyta1m2vkmzmznwnkzwm0njbkodu.jpeg)
