![CAS 1134156-31-2 5′-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1134156-31-2.gif)
CAS RN: 1134156-31-2
5′-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251129 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260416 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250916 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250325 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250406 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 5mg / 25mg / 100mg | Confirm by inquiry | Guangdong, Shanghai | Inquiry |
- Product code: starshine_CAS1134156-31-2
- Purity/Analytical Methods: >99.0%
1134156-31-2 / 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl]benzonitrile
VER-155008 | VER 155008 | VER155008
Basic Information
CAS
1134156-31-2
Multi CAS
Yes
Molecular Formula
C25H23Cl2N7O4
Molecular Weight
556.400000
Exact Mass
555.118858
SMILES
C1=CC(=CC=C1COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3NCC5=CC(=C(C=C5)Cl)Cl)N)O)O)C#N
InChI
InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1
InChIKey
ZXGGCBQORXDVTE-UMCMBGNQSA-N
Synonyms
VER-155008
VER 155008
VER155008
RefChem:933968
5'-O-[(4-Cyanophenyl)methyl]-8-[[(3,4-dichlorophenyl)methyl]amino]-adenosine
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
21
Fraction Csp3
0.28
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
4
Molar refractivity
140.26
TPSA
164.36
LogP / Solubility
WLOGP
3.04
MLOGP
2.71
XLogP3
2.4
Consensus LogP
2.72
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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