CAS RN: 20588-62-9
3-METHOXYTRIPHENYLAMINE 97
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong | Inquiry |
- Product code: starshine_CAS20588-62-9
- Purity/Analytical Methods: >99.0%
20588-62-9 / 3-methoxy-N,N-diphenylaniline
Basic Information
CAS
20588-62-9
Multi CAS
No
Molecular Formula
C19H17NO
Molecular Weight
275.300000
Exact Mass
275.131014
SMILES
COC1=CC=CC(=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO/c1-21-19-14-8-13-18(15-19)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15H,1H3
InChIKey
MVIPGWFTBPVNBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
87.68
TPSA
12.47
LogP / Solubility
WLOGP
5.17
MLOGP
4.55
XLogP3
5.1
Consensus LogP
4.94
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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