![CAS 1263369-28-3 N2′-((1r,4r)-4-aMinocyclohexyl)-5′-chloro-N6-(3-fluorobenzyl)-[2,4′-bipyridine]-2′,6-diaMine-rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263369-28-3.gif)
CAS RN: 1263369-28-3
N2′-((1r,4r)-4-aMinocyclohexyl)-5′-chloro-N6-(3-fluorobenzyl)-[2,4′-bipyridine]-2′,6-diaMine-rel-
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.20250821 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1263369-28-3
- Purity/Analytical Methods: >99.0%
1263369-28-3 / 4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
Basic Information
CAS
1263369-28-3
Multi CAS
No
Molecular Formula
C23H25ClFN5
Molecular Weight
425.900000
Exact Mass
425.178252
SMILES
C1CC(CCC1N)NC2=NC=C(C(=C2)C3=NC(=CC=C3)NCC4=CC(=CC=C4)F)Cl
InChI
InChI=1S/C23H25ClFN5/c24-20-14-28-23(29-18-9-7-17(26)8-10-18)12-19(20)21-5-2-6-22(30-21)27-13-15-3-1-4-16(25)11-15/h1-6,11-12,14,17-18H,7-10,13,26H2,(H,27,30)(H,28,29)
InChIKey
XKHXPTSUVPZYDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
120.06
TPSA
75.86
LogP / Solubility
WLOGP
5.23
MLOGP
4.63
XLogP3
4.7
Consensus LogP
4.85
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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