Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
945018-87-1 / 4-tritylaniline;hydrochloride
Basic Information
CAS
945018-87-1
Multi CAS
Yes
Molecular Formula
C25H22CLN
Molecular Weight
371.900000
Exact Mass
371.144077
InChI
InChI=1S/C25H21N.ClH/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-19H,26H2;1H
InChIKey
GGYQDMHUVMIEFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
116.41
TPSA
26.02
LogP / Solubility
WLOGP
6.07
MLOGP
5.37
XLogP3
6.07
Consensus LogP
5.84
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
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)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
-
N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide
- CAS RN: 945128-26-7
- Product Code: SSC-209572
-
![CAS 945021-49-8 1,7-Dimethyl-1H-benzo[d]imidazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945021-49-8.gif)
![CAS 945023-34-7 1,6-DiMethyl-1H-benzo[d]iMidazol-2-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945023-34-7.gif)
