CAS RN: 144924-88-9
2-AMino-6-chloropurine -9-beta-D-(2′-deoxy-2′-fluoro)-arabinoriboside
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.20250614 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS144924-88-9
- Purity/Analytical Methods: >99.0%
144924-88-9 / (2R,3R,4S,5R)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Basic Information
CAS
144924-88-9
Multi CAS
No
Molecular Formula
C10H11ClFN5O3
Molecular Weight
303.680000
Exact Mass
303.053445
SMILES
C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2Cl)N
InChI
InChI=1S/C10H11ClFN5O3/c11-7-5-8(16-10(13)15-7)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
InChIKey
YGCKIKLWIYKESC-AYQXTPAHSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
66.64
TPSA
119.31
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.3
XLogP3
0.9
Consensus LogP
0.08
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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)
-4.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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