CAS RN: 100017-22-9
(2R,3S)-1,2-Epoxy-3-hydroxy-4-pentene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260429 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-000063
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
100017-22-9 / (1S)-1-[(2R)-oxiran-2-yl]prop-2-en-1-ol
1-(oxiran-2-yl)prop-2-en-1-ol | 1824191-14-1 | oxiranyl vinyl carbinol
Basic Information
CAS
100017-22-9
Multi CAS
Yes
Molecular Formula
C5H8O2
Molecular Weight
100.120000
Exact Mass
100.052429
SMILES
C=C[C@@H]([C@H]1CO1)O
InChI
InChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h2,4-6H,1,3H2/t4-,5+/m0/s1
InChIKey
YYUNQECXARGEAQ-CRCLSJGQSA-N
Synonyms
1-(oxiran-2-yl)prop-2-en-1-ol
1824191-14-1
oxiranyl vinyl carbinol
SCHEMBL571595
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
25.94
TPSA
32.76
LogP / Solubility
WLOGP
-0.07
MLOGP
-0.07
XLogP3
-0.1
Consensus LogP
-0.08
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
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)
-3.38
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
2.5
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