![CAS 1998216-16-2 7,8-Dihydro-6H-[1,3]dioxolo[4,5-e]isoindole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1998216-16-2.gif)
CAS RN: 1998216-16-2
7,8-Dihydro-6H-[1,3]dioxolo[4,5-e]isoindole hydrochloride
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.20250107 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-094055
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 | Shenzhen | Inquiry |
1998216-16-2 / 7,8-dihydro-6H-[1,3]dioxolo[4,5-e]isoindole;hydrochloride
Basic Information
CAS
1998216-16-2
Multi CAS
No
Molecular Formula
C9H10ClNO2
Molecular Weight
199.630000
Exact Mass
199.040006
SMILES
C1C2=C(CN1)C3=C(C=C2)OCO3.Cl
InChI
InChI=1S/C9H9NO2.ClH/c1-2-8-9(12-5-11-8)7-4-10-3-6(1)7;/h1-2,10H,3-5H2;1H
InChIKey
LTCYIVTWNAIJEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.36
TPSA
30.49
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.44
Consensus LogP
1.38
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.92
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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