CAS RN: 1314916-25-0
2-Chloro-8-methyl-5,6,7,8-tetrahydropteridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250418 | 100mg | In stock | Shanghai | Inquiry |
- Product code: LINC905298
1314916-25-0 / 2-chloro-8-methyl-6,7-dihydro-5H-pteridine
Basic Information
CAS
1314916-25-0
Multi CAS
No
Molecular Formula
C7H9ClN4
Molecular Weight
184.620000
Exact Mass
184.051574
SMILES
CN1CCNC2=CN=C(N=C21)Cl
InChI
InChI=1S/C7H9ClN4/c1-12-3-2-9-5-4-10-7(8)11-6(5)12/h4,9H,2-3H2,1H3
InChIKey
JAOCALWYCRAAPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.8
TPSA
41.05
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
1.4
Consensus LogP
1.09
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.14
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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