CAS RN: 765-13-9
1-Pentadecyne
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.20251209 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTP0356
- Purity/Analytical Methods: >95.0%(GC)
765-13-9 / pentadec-1-yne
Basic Information
CAS
765-13-9
Multi CAS
Yes
Molecular Formula
C15H28
Molecular Weight
208.380000
Exact Mass
208.219101
InChI
InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3
InChIKey
DONJGKADZJEXRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.87
Rotatable bonds
11
Molar refractivity
69.91
TPSA
0.0000
LogP / Solubility
WLOGP
5.32
MLOGP
4.68
XLogP3
7.3
Consensus LogP
5.77
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
