![CAS 264622-58-4 8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine hydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/264622-58-4.gif)
CAS RN: 264622-58-4
8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine hydrate
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250214 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250623 | 1g | Out of stock | Inquiry | |
| Batchno.20250319 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260407 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250104 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250524 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-124243
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
264622-58-4 / N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Basic Information
CAS
264622-58-4
Multi CAS
No
Molecular Formula
C26H26N6O4
Molecular Weight
486.500000
Exact Mass
486.201553
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N
InChI
InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
InChIKey
AJBBEYXFRYFVNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
2
Molar refractivity
135.91
TPSA
134.8
LogP / Solubility
WLOGP
3.26
MLOGP
2.91
XLogP3
4.9
Consensus LogP
3.69
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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