CAS RN: 6324-72-7
2-AMINO-6-HYDROXY-8-MERCAPTOPURINE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS6324-72-7
- Purity/Analytical Methods: >99.0%
6324-72-7 / 2-amino-8-sulfanylidene-7,9-dihydro-1H-purin-6-one
Basic Information
CAS
6324-72-7
Multi CAS
Yes
Molecular Formula
C5H5N5OS
Molecular Weight
183.190000
Exact Mass
183.021481
InChI
InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChIKey
JHEKNTQSGTVPAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
4
Molar refractivity
46.31
TPSA
103.35
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.1
XLogP3
-1.6
Consensus LogP
-0.6
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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5-(2-HYDROXY-BENZYLIDENE)-THIAZOLIDINE-2,4-DIONE
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- Purity/Analytical method: >99.0%
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