CAS RN: 496955-42-1
st-1535
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.20260420 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS496955-42-1
- Purity/Analytical Methods: >99.0%
496955-42-1 / 2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
Basic Information
CAS
496955-42-1
Multi CAS
No
Molecular Formula
C12H16N8
Molecular Weight
272.310000
Exact Mass
272.149793
InChI
InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
InChIKey
CYYQMAWUIRPCNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
74.25
TPSA
100.33
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
1.8
Consensus LogP
1.15
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 497058-00-1 3-CHLOROIMIDAZO[1,2-A]PYRIDINE-2-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497058-00-1.gif)
