CAS RN: 780031-45-0
2H – Pyran – 4 – carboxiMidaMide, tetrahydro
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.20260331 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS780031-45-0
- Purity/Analytical Methods: >99.0%
780031-45-0 / oxane-4-carboximidamide
Basic Information
CAS
780031-45-0
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
InChI
InChI=1S/C6H12N2O/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H3,7,8)
InChIKey
RLVPQNBFDNJRQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.46
TPSA
59.1
LogP / Solubility
WLOGP
0.35
MLOGP
0.3
XLogP3
-0.5
Consensus LogP
0.05
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.25
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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