CAS RN: 115648-90-3
(S)-3-CHLOROSTYRENE OXIDE
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.20251225 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-015409
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
115648-90-3 / (2S)-2-(3-chlorophenyl)oxirane
2-(3-Chlorophenyl)oxirane | 2-(3-Chloro-phenyl)-oxirane | DTXSID40942899
Basic Information
CAS
115648-90-3
Multi CAS
Yes
Molecular Formula
C8H7ClO
Molecular Weight
154.590000
Exact Mass
154.018543
SMILES
C1[C@@H](O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C8H7ClO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
InChIKey
YVMKRPGFBQGEBF-MRVPVSSYSA-N
Synonyms
2-(3-Chlorophenyl)oxirane
2-(3-Chloro-phenyl)-oxirane
DTXSID40942899
RefChem:455421
DTXCID501006000
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.15
TPSA
12.53
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2
Consensus LogP
2.18
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-1.95
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
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