CAS RN: 52175-10-7
Adenine phosphate(1:x)
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.20251019 | 25g / 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52175-10-7
- Purity/Analytical Methods: >99.0%
52175-10-7 / phosphoric acid;7H-purin-6-amine
Basic Information
CAS
52175-10-7
Multi CAS
No
Molecular Formula
C5H8N5O4P
Molecular Weight
233.120000
Exact Mass
233.031391
InChI
InChI=1S/C5H5N5.H3O4P/c6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h1-2H,(H3,6,7,8,9,10);(H3,1,2,3,4)
InChIKey
CCHNOBQMQBSRHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
5
Molar refractivity
50.36
TPSA
158.24
LogP / Solubility
WLOGP
-0.99
MLOGP
-0.87
XLogP3
-0.99
Consensus LogP
-0.95
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
Class (SILICOS-IT)
Very 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)
-4.85
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
1.5
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