CAS RN: 62702-83-4
2-(2H-Pyran-4(3H,5H,6H)-ylidene)-malononitrile
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.20250311 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS62702-83-4
- Purity/Analytical Methods: >99.0%
62702-83-4 / 2-(oxan-4-ylidene)propanedinitrile
Basic Information
CAS
62702-83-4
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
InChI
InChI=1S/C8H8N2O/c9-5-8(6-10)7-1-3-11-4-2-7/h1-4H2
InChIKey
DBBGQTFTXZFRIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
38.31
TPSA
56.81
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.1
Consensus LogP
0.75
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-2.81
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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