CAS RN: 1426833-08-0
PDE2/PDE10-IN-1
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.20250107 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1426833-08-0
- Purity/Analytical Methods: >99.0%
1426833-08-0 / 3-(2-chlorophenyl)-7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Basic Information
CAS
1426833-08-0
Multi CAS
No
Molecular Formula
C15H10ClN5
Molecular Weight
295.720000
Exact Mass
295.062473
SMILES
CC1=NC2=C(C=NC=C2)N3C1=NN=C3C4=CC=CC=C4Cl
InChI
InChI=1S/C15H10ClN5/c1-9-14-19-20-15(10-4-2-3-5-11(10)16)21(14)13-8-17-7-6-12(13)18-9/h2-8H,1H3
InChIKey
SNQXTEAQGLZIDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
19
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
81.27
TPSA
55.97
LogP / Solubility
WLOGP
3.3
MLOGP
2.92
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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