CAS RN: 50868-58-1
6-(2-hydroxybenzylamino)-9-beta-D-ribofuranosylpurine
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.20260206 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50868-58-1
- Purity/Analytical Methods: >99.0%
50868-58-1 / (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Basic Information
CAS
50868-58-1
Multi CAS
Yes
Molecular Formula
C17H19N5O5
Molecular Weight
373.400000
Exact Mass
373.138619
InChI
InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKey
URVCVGNFSZHAOA-LSCFUAHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
93.77
TPSA
145.78
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.19
XLogP3
0.8
Consensus LogP
0.12
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-5.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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