CAS RN: 521915-75-3
KNOVZDRKHSHEQN-JZGIKJSDSA-N
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.20250220 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS521915-75-3
- Purity/Analytical Methods: >99.0%
521915-75-3 / 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate;hydrate;hydrochloride
Basic Information
CAS
521915-75-3
Multi CAS
Yes
Molecular Formula
C13H23CLN6O5
Molecular Weight
378.810000
Exact Mass
378.141846
InChI
InChI=1S/C13H20N6O4.ClH.H2O/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H;1H2/t8-;;/m0../s1
InChIKey
KNOVZDRKHSHEQN-JZGIKJSDSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
3
Molar refractivity
93.15
TPSA
182.64
LogP / Solubility
WLOGP
-1.2
MLOGP
-1.03
XLogP3
-1.2
Consensus LogP
-1.14
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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