CAS RN: 2757085-59-7
2-Pyridinamine, 5,5′,5”-(1,3,5-benzenetriyl)tris-
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.20260127 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2757085-59-7
- Purity/Analytical Methods: >99.0%
2757085-59-7 / 5-[3,5-bis(6-amino-3-pyridinyl)phenyl]pyridin-2-amine
Basic Information
CAS
2757085-59-7
Multi CAS
No
Molecular Formula
C21H18N6
Molecular Weight
354.400000
Exact Mass
354.159295
SMILES
C1=CC(=NC=C1C2=CC(=CC(=C2)C3=CN=C(C=C3)N)C4=CN=C(C=C4)N)N
InChI
InChI=1S/C21H18N6/c22-19-4-1-13(10-25-19)16-7-17(14-2-5-20(23)26-11-14)9-18(8-16)15-3-6-21(24)27-12-15/h1-12H,(H2,22,25)(H2,23,26)(H2,24,27)
InChIKey
DQVGGCRGSFCEGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
109.37
TPSA
116.73
LogP / Solubility
WLOGP
3.62
MLOGP
3.2
XLogP3
2.5
Consensus LogP
3.11
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
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
Yes
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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