CAS RN: 2914-69-4
(S)-(-)-3-Butyn-2-ol
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
- Product code: SSC-131413
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
2914-69-4 / but-3-yn-2-ol
Basic Information
CAS
2914-69-4
Multi CAS
Yes
Molecular Formula
C4H6O
Molecular Weight
70.090000
Exact Mass
70.041865
InChI
InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
InChIKey
GKPOMITUDGXOSB-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless or light yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
20.51
TPSA
20.23
LogP / Solubility
MLOGP
-0.02
XLogP3
0.1
Consensus LogP
0.03
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very 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)
-3.15
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
