CAS RN: 3413-66-9
9-(2-Deoxy-α-D-erythro-pentofuranosyl)-9H-purin-6-amine
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.20251222 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3413-66-9
- Purity/Analytical Methods: >99.0%
3413-66-9 / 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Basic Information
CAS
3413-66-9
Multi CAS
Yes
Molecular Formula
C10H13N5O3
Molecular Weight
251.240000
Exact Mass
251.101839
InChI
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
InChIKey
OLXZPDWKRNYJJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
61.36
TPSA
119.31
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.83
XLogP3
-0.5
Consensus LogP
-0.76
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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MTIC
- CAS RN: 3413-72-7
- Product Code: starshine_CAS3413-72-7
- Purity/Analytical method: >99.0%
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