CAS RN: 2806-97-5
2-BUTYNAL DIETHYL ACETAL
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.20250116 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2806-97-5
- Purity/Analytical Methods: >99.0%
2806-97-5 / 1,1-diethoxybut-2-yne
Basic Information
CAS
2806-97-5
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
InChI
InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3
InChIKey
FKKVKKSEVMQYER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
40.49
TPSA
18.46
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-2.59
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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