CAS RN: 148703-14-4
2,3-DIHYDRO-1,4-BENZODIOXINE-5-CARBONITRILE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251208 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260308 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251130 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260428 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251128 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-058915
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 | Hong Kong | Inquiry |
148703-14-4 / 2,3-dihydro-1,4-benzodioxine-5-carbonitrile
Basic Information
CAS
148703-14-4
Multi CAS
No
Molecular Formula
C9H7NO2
Molecular Weight
161.160000
Exact Mass
161.047678
SMILES
C1COC2=C(C=CC=C2O1)C#N
InChI
InChI=1S/C9H7NO2/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3H,4-5H2
InChIKey
WNNQCWLSQDNACP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
3
Molar refractivity
42.15
TPSA
42.25
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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