CAS RN: 492-11-5
LEUCOPTERIN
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250908 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS492-11-5
- Purity/Analytical Methods: >99.0%
492-11-5 / 2-amino-5,8-dihydro-3H-pteridine-4,6,7-trione
Basic Information
CAS
492-11-5
Multi CAS
Yes
Molecular Formula
C6H5N5O3
Molecular Weight
195.140000
Exact Mass
195.039239
InChI
InChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14)
InChIKey
SFLOGVVDXPCWGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
5
H-bond donors
4
Molar refractivity
48.02
TPSA
137.49
LogP / Solubility
WLOGP
-2.12
MLOGP
-1.86
XLogP3
-2.4
Consensus LogP
-2.13
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.83
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)
-5.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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