CAS RN: 944580-73-8
2-Chloro-7,8-dihydro-5H-pteridin-6-one
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.20251128 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS944580-73-8
- Purity/Analytical Methods: >99.0%
944580-73-8 / 2-chloro-8-methyl-5,7-dihydropteridin-6-one
Basic Information
CAS
944580-73-8
Multi CAS
Yes
Molecular Formula
C7H7CLN4O
Molecular Weight
198.610000
Exact Mass
198.030839
InChI
InChI=1S/C7H7ClN4O/c1-12-3-5(13)10-4-2-9-7(8)11-6(4)12/h2H,3H2,1H3,(H,10,13)
InChIKey
CVRWNGLANPUNMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.94
TPSA
58.12
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
0.6
Consensus LogP
0.53
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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