CAS RN: 56705-84-1
4-(3-methylphenoxy)aniline
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260107 | 10g | Out of stock | Inquiry | ||
| Batchno.20260423 | 1g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260401 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250529 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251012 | 5g | In stock | Shenzhen, Wuhan | Inquiry |
- Product code: starshine_CAS56705-84-1
- Purity/Analytical Methods: >99.0%
56705-84-1 / 4-(3-methylphenoxy)aniline
Basic Information
CAS
56705-84-1
Multi CAS
Yes
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
InChI
InChI=1S/C13H13NO/c1-10-3-2-4-13(9-10)15-12-7-5-11(14)6-8-12/h2-9H,14H2,1H3
InChIKey
GYVLOVTVJKXIGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.11
TPSA
35.25
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
3.5
Consensus LogP
3.28
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 56715-13-0 (+)-4-[2-HYDROXY-3-[(1-METHYLETHYL)-AMINO]PROPOXY]BENZENEACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56715-13-0.gif)