![CAS 251647-48-0 N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/251647-48-0.gif)
CAS RN: 251647-48-0
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251114 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260223 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20250523 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251222 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250515 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251208 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-120809
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
251647-48-0 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]purin-6-yl]benzamide
Basic Information
CAS
251647-48-0
Multi CAS
No
Molecular Formula
C41H41N5O8
Molecular Weight
731.800000
Exact Mass
731.295513
SMILES
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O
InChI
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34)46)45-39(48)27-10-6-4-7-11-27)24-53-41(28-12-8-5-9-13-28,29-14-18-31(50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2,1-3H3,(H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChIKey
KEVMXGNDTKPSMC-MUMPVVMASA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
33
Fraction Csp3
0.27
Rotatable bonds
15
H-bond acceptors
12
H-bond donors
2
Molar refractivity
199.51
TPSA
148.31
LogP / Solubility
WLOGP
5.39
MLOGP
4.81
XLogP3
4.9
Consensus LogP
5.03
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-9.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.69
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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