CAS RN: 205171-05-7
6-Chloro-9-(2-C-methyl-beta-D-ribofuranosyl)-9H-purine
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.20260610 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS205171-05-7
- Purity/Analytical Methods: >99.0%
205171-05-7 / (2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Basic Information
CAS
205171-05-7
Multi CAS
No
Molecular Formula
C11H13ClN4O4
Molecular Weight
300.700000
Exact Mass
300.062533
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3Cl)CO)O)O
InChI
InChI=1S/C11H13ClN4O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3/t5-,7-,10-,11-/m1/s1
InChIKey
MOMRKSMRPOKFCN-YRKGHMEHSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
67.96
TPSA
113.52
LogP / Solubility
WLOGP
-0.52
MLOGP
-0.44
XLogP3
-0.4
Consensus LogP
-0.45
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-4.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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