![CAS 391901-45-4 BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/391901-45-4.gif)
CAS RN: 391901-45-4
BenzeneMethanol, a-[[[2-(4-aMinophenyl)ethyl]aMino]Methyl]-, (aR)-
Product Availability
Choose a grade to view its available package options.
6 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250821 | 100g | In stock | Shenzhen | Inquiry |
| Batchno.20260223 | 10g | Out of stock | Inquiry | |
| Batchno.20250920 | 1g | Out of stock | Inquiry | |
| Batchno.20250601 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
| Batchno.20250630 | 25g | Out of stock | Inquiry | |
| Batchno.20260307 | 5g | Out of stock | Inquiry |
- Product code: SSC-146831
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: 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
391901-45-4 / 2-[2-(4-aminophenyl)ethylamino]-1-phenylethanol
Basic Information
CAS
391901-45-4
Multi CAS
Yes
Molecular Formula
C16H20N2O
Molecular Weight
256.340000
Exact Mass
256.157563
InChI
InChI=1S/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2
InChIKey
TUAHDMSPHZSMQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
78.83
TPSA
58.28
LogP / Solubility
WLOGP
2.13
MLOGP
1.89
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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