CAS RN: 764-73-8
2,6-Octadiyne
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.20251113 | 0.1ml | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTO0194
- Purity/Analytical Methods: >97.0%(GC)
764-73-8 / octa-2,6-diyne
Basic Information
CAS
764-73-8
Multi CAS
No
Molecular Formula
C8H10
Molecular Weight
106.160000
Exact Mass
106.078250
InChI
InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h7-8H2,1-2H3
InChIKey
PHNFSGFUJPBCLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
Molar refractivity
36.13
TPSA
0.0000
LogP / Solubility
WLOGP
1.81
MLOGP
1.58
XLogP3
2.4
Consensus LogP
1.93
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.08
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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1-Pentadecyne
- CAS RN: 765-13-9
- Product Code: ICTP0356
- Purity/Analytical method: >95.0%(GC)
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