CAS RN: 34097-37-5
N,N’-1H-PURINE-2,6-DIYBIS ACETAMIDE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250827 |
250mg / 1g |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS34097-37-5
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Purity/Analytical Methods:
>99.0%
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34097-37-5 / N-(2-acetamido-7H-purin-6-yl)acetamide
Standard CAS: 34097-37-5
Multi CAS: No
Basic Information
CAS
34097-37-5
Multi CAS
No
Molecular Formula
C9H10N6O2
Molecular Weight
234.220000
Exact Mass
234.086524
InChI
InChI=1S/C9H10N6O2/c1-4(16)12-8-6-7(11-3-10-6)14-9(15-8)13-5(2)17/h3H,1-2H3,(H3,10,11,12,13,14,15,16,17)
InChIKey
UITDLMKGFBJWPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
60.29
TPSA
112.66
LogP / Solubility
WLOGP
0.27
MLOGP
0.24
XLogP3
-1.2
Consensus LogP
-0.23
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5