CAS RN: 1883563-86-7
diisopropyl 2,2′-((((((R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(azanediyl))(2S,2’S)-dipropionate compound with methane (1:1)
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.20260505 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1883563-86-7
- Purity/Analytical Methods: >99.0%
1883563-86-7 / methane;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
Basic Information
CAS
1883563-86-7
Multi CAS
No
Molecular Formula
C22H40N7O6P
Molecular Weight
529.600000
Exact Mass
529.277769
SMILES
C.C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C
InChI
InChI=1S/C21H36N7O6P.CH4/c1-12(2)33-20(29)15(6)26-35(31,27-16(7)21(30)34-13(3)4)11-32-14(5)8-28-10-25-17-18(22)23-9-24-19(17)28;/h9-10,12-16H,8,11H2,1-7H3,(H2,22,23,24)(H2,26,27,31);1H4/t14-,15+,16+;/m1./s1
InChIKey
XXIFJVNVDIFLHP-BZSDZJHCSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
9
Fraction Csp3
0.68
Rotatable bonds
13
H-bond acceptors
11
H-bond donors
3
Molar refractivity
137.14
TPSA
172.58
LogP / Solubility
WLOGP
2.46
MLOGP
2.2
XLogP3
2.46
Consensus LogP
2.37
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.7
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
No
Log Kp (skin permeation)
-4.2
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
5.5
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![CAS 1883672-48-7 tert-butyl 4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1883672-48-7.gif)