![CAS 480439-89-2 7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-5-iodo-7-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/480439-89-2.gif)
CAS RN: 480439-89-2
7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-5-iodo-7-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-
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.20250706 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-155018
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 | Hong Kong | Inquiry |
480439-89-2 / [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl benzoate
Basic Information
CAS
480439-89-2
Multi CAS
Yes
Molecular Formula
C33H23LiN3O7
Molecular Weight
723.900000
Exact Mass
723.026930
InChI
InChI=1S/C32H23ClIN3O7/c33-27-24-22(34)16-37(28(24)36-18-35-27)29-26(44-32(40)21-14-8-3-9-15-21)25(43-31(39)20-12-6-2-7-13-20)23(42-29)17-41-30(38)19-10-4-1-5-11-19/h1-16,18,23,25-26,29H,17H2/t23-,25-,26-,29-/m1/s1
InChIKey
WHVWNDLPQYBIGY-CTDWIVFPSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
27
Fraction Csp3
0.16
Rotatable bonds
8
H-bond acceptors
10
Molar refractivity
167.18
TPSA
118.84
LogP / Solubility
WLOGP
5.89
MLOGP
5.25
XLogP3
6.8
Consensus LogP
5.98
Log S (ESOL)
-7.97
Class (ESOL)
Insoluble
Log S (Ali)
-9.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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