CAS RN: 31333-13-8
3-Nonyn-1-ol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-136657
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥99%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥99% | 0 Out of Stock | Shanghai | Inquiry |
31333-13-8 / non-3-yn-1-ol
Basic Information
CAS
31333-13-8
Multi CAS
Yes
Molecular Formula
C9H16O
Molecular Weight
140.220000
Exact Mass
140.120115
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3
InChIKey
TZZVRLFUTNYDEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.62
TPSA
20.23
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
2.7
Consensus LogP
2.12
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.19
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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