CAS RN: 281676-77-5
2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)acetic acid
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.20251129 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS281676-77-5
- Purity/Analytical Methods: >99.0%
281676-77-5 / 2-(2-amino-6-oxo-5H-purin-9-yl)acetic acid
Basic Information
CAS
281676-77-5
Multi CAS
Yes
Molecular Formula
C7H7N5O3
Molecular Weight
209.160000
Exact Mass
209.054889
InChI
InChI=1S/C7H7N5O3/c8-7-10-5-4(6(15)11-7)9-2-12(5)1-3(13)14/h2,4H,1H2,(H,13,14)(H2,8,11,15)
InChIKey
AFITVZSVLFEZKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
50.69
TPSA
120.71
LogP / Solubility
WLOGP
-1.96
MLOGP
-1.73
XLogP3
-1.9
Consensus LogP
-1.86
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly 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)
-5.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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