CAS RN: 135473-15-3
6-Chloropurine -9-beta-D-(3′,5′-di-O-benzoyl-2′-deoxy-2′-fluoro)arabinoriboside
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251119 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS135473-15-3
- Purity/Analytical Methods: >99.0%
135473-15-3 / [(2R,3R,4S,5R)-3-benzoyloxy-5-(6-chloropurin-9-yl)-4-fluorooxolan-2-yl]methyl benzoate
Basic Information
CAS
135473-15-3
Multi CAS
No
Molecular Formula
C24H18ClFN4O5
Molecular Weight
496.900000
Exact Mass
496.094976
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=NC4=C3N=CN=C4Cl)F)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H18ClFN4O5/c25-20-18-21(28-12-27-20)30(13-29-18)22-17(26)19(35-24(32)15-9-5-2-6-10-15)16(34-22)11-33-23(31)14-7-3-1-4-8-14/h1-10,12-13,16-17,19,22H,11H2/t16-,17+,19-,22-/m1/s1
InChIKey
UUXIUBHNOYWBNO-ZRAXVTTISA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
121.51
TPSA
105.43
LogP / Solubility
WLOGP
3.8
MLOGP
3.38
XLogP3
4.3
Consensus LogP
3.83
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 135481-57-1 6-BENZYL-5,6,7,8-TETRAHYDRO-1H-PYRIDO[4,3-D]PYRIMIDINE-2,4-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/135481-57-1.gif)
