Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 1 In Stock | Shenzhen | Inquiry |
821-11-4 / but-2-ene-1,4-diol
Basic Information
CAS
821-11-4
Multi CAS
Yes
Molecular Formula
C4H8O2
Molecular Weight
88.110000
Exact Mass
88.052429
InChI
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKey
ORTVZLZNOYNASJ-UHFFFAOYSA-N
Physical Properties
Melting Point
7 °C (45 °F)
Boiling Point
141-149 °C AT 20 MM HG
Density
1.067-1.074
Physical Description
Nearly colorless, odorless liquid; [HSDB] Faintly yellow-green clear viscous liquid
Appearance
ALMOST COLORLESS LIQUID
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.31
TPSA
40.46
LogP / Solubility
WLOGP
-0.47
MLOGP
-0.43
XLogP3
-0.8
Consensus LogP
-0.57
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.08
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.59
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
