CAS RN: 133432-71-0
Peldesine
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.20251116 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS133432-71-0
- Purity/Analytical Methods: >99.0%
133432-71-0 / 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Basic Information
CAS
133432-71-0
Multi CAS
No
Molecular Formula
C12H11N5O
Molecular Weight
241.250000
Exact Mass
241.096360
SMILES
C1=CC(=CN=C1)CC2=CNC3=C2N=C(NC3=O)N
InChI
InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
InChIKey
DOHVAKFYAHLCJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
68.17
TPSA
100.45
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
0.1
Consensus LogP
0.55
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.61
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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