CAS RN: 60212-30-8
3-Undecyne
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.20250814 | 1ml | In stock | Shanghai | Inquiry |
- Product code: ICTU0034
- Purity/Analytical Methods: >96.0%(GC)
60212-30-8 / undec-3-yne
Basic Information
CAS
60212-30-8
Multi CAS
No
Molecular Formula
C11H20
Molecular Weight
152.280000
Exact Mass
152.156501
InChI
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-5,7,9-11H2,1-2H3
InChIKey
DPWGJNPCPLQVKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.82
Rotatable bonds
5
Molar refractivity
51.44
TPSA
0.0000
LogP / Solubility
WLOGP
3.76
MLOGP
3.3
XLogP3
5
Consensus LogP
4.02
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
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)
-0.98
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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