![CAS 52678-40-7 2,6-Dichloro-9-[2,3-O-(1-Methylethylidene)-Beta-D-ribofuranosyl]-9H-purine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52678-40-7.gif)
CAS RN: 52678-40-7
2,6-Dichloro-9-[2,3-O-(1-Methylethylidene)-Beta-D-ribofuranosyl]-9H-purine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251101 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251231 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260101 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250316 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260118 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-159790
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
52678-40-7 / [(3aR,4R,6R,6aR)-4-(2,6-dichloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
Basic Information
CAS
52678-40-7
Multi CAS
Yes
Molecular Formula
C13H14CL2N4O4
Molecular Weight
361.180000
Exact Mass
360.039210
InChI
InChI=1S/C13H14Cl2N4O4/c1-13(2)22-7-5(3-20)21-11(8(7)23-13)19-4-16-6-9(14)17-12(15)18-10(6)19/h4-5,7-8,11,20H,3H2,1-2H3/t5-,7-,8-,11-/m1/s1
InChIKey
LZDIYWCJZOULCR-IOSLPCCCSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
1
Molar refractivity
80.16
TPSA
91.52
LogP / Solubility
WLOGP
1.54
MLOGP
1.38
XLogP3
1.4
Consensus LogP
1.44
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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