![CAS 96331-95-2 2-[2-(2-Aminophenoxy)ethoxy]-4-methyl-benzenamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96331-95-2.gif)
CAS RN: 96331-95-2
2-[2-(2-Aminophenoxy)ethoxy]-4-methyl-benzenamine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250208 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-211968
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
96331-95-2 / 2-[2-(2-aminophenoxy)ethoxy]-4-methylaniline
Basic Information
CAS
96331-95-2
Multi CAS
No
Molecular Formula
C15H18N2O2
Molecular Weight
258.320000
Exact Mass
258.136828
InChI
InChI=1S/C15H18N2O2/c1-11-6-7-13(17)15(10-11)19-9-8-18-14-5-3-2-4-12(14)16/h2-7,10H,8-9,16-17H2,1H3
InChIKey
DNJQPJBLGFGESM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.44
TPSA
70.5
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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