CAS RN: 4294-17-1
6-BENZYLAMINOPURINE 9-(BETA-D-GLUCOSIDE)
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.20250703 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4294-17-1
- Purity/Analytical Methods: >99.0%
4294-17-1 / 2-[6-(benzylamino)purin-9-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Basic Information
CAS
4294-17-1
Multi CAS
Yes
Molecular Formula
C18H21N5O5
Molecular Weight
387.400000
Exact Mass
387.154269
InChI
InChI=1S/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)/t11-,13-,14+,15-,18-/m1/s1
InChIKey
KRUUBWXADMDQSI-BWOYXGKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
98.11
TPSA
145.78
LogP / Solubility
WLOGP
-0.59
MLOGP
-0.5
XLogP3
0.5
Consensus LogP
-0.2
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-5.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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