CAS RN: 20734-57-0
N1,N1,N8-Trimethylnaphthalene-1,8-diamine
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.20260625 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20734-57-0
- Purity/Analytical Methods: >99.0%
20734-57-0 / 1-N,1-N,8-N-trimethylnaphthalene-1,8-diamine
Basic Information
CAS
20734-57-0
Multi CAS
No
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
SMILES
CNC1=CC=CC2=C1C(=CC=C2)N(C)C
InChI
InChI=1S/C13H16N2/c1-14-11-8-4-6-10-7-5-9-12(13(10)11)15(2)3/h4-9,14H,1-3H3
InChIKey
RBSSKSPWLOAFJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.82
TPSA
15.27
LogP / Solubility
WLOGP
2.95
MLOGP
2.59
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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