CAS RN: 116285-77-9
8-CHLOROINOSINE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260224 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251201 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260311 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250304 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250709 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251110 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS116285-77-9
- Purity/Analytical Methods: >99.0%
116285-77-9 / 8-chloro-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Basic Information
CAS
116285-77-9
Multi CAS
Yes
Molecular Formula
C10H11ClN4O5
Molecular Weight
302.670000
Exact Mass
302.041797
SMILES
C1=NC2=C(C(=O)N1)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
InChI
InChI=1S/C10H11ClN4O5/c11-10-14-4-7(12-2-13-8(4)19)15(10)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,12,13,19)/t3-,5-,6-,9-/m1/s1
InChIKey
ROPMUQKCJYNROP-UUOKFMHZSA-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
4
Molar refractivity
66.17
TPSA
133.49
LogP / Solubility
WLOGP
-1.62
MLOGP
-1.41
XLogP3
-1.2
Consensus LogP
-1.41
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-5.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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