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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 4 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 1 In Stock | Beijing | Inquiry |
222036-66-0 / 5-amino-2,3-dihydroisoindol-1-one
Basic Information
CAS
222036-66-0
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
C1C2=C(C=CC(=C2)N)C(=O)N1
InChI
InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4,9H2,(H,10,11)
InChIKey
RGJCJWXNNDARPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.02
TPSA
55.12
LogP / Solubility
WLOGP
0.51
MLOGP
0.44
XLogP3
0.1
Consensus LogP
0.35
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.26
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
Customers Also Viewed
-
-
4-(4-AMINOBUTYL)PHENOL
- CAS RN: 22205-09-0
- Product Code: starshine_CAS22205-09-0
- Purity/Analytical method: >99.0%
-
DodecanaMide, N-decyl-
- CAS RN: 22205-13-6
- Product Code: starshine_CAS22205-13-6
- Purity/Analytical method: >99.0%
-
-
-
CALCIUM BROMIDE DIHYDRATE
- CAS RN: 22208-73-7
- Product Code: starshine_CAS22208-73-7
- Purity/Analytical method: >99.0%
![CAS 22207-84-7 3-methylidene-1-azabicyclo[2.2.2]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22207-84-7.gif)
