CAS RN: 50727-06-5
5-HYDROXY-1H-ISOINDOLE-1,3(2H)-DIONE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-157423
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
50727-06-5 / 5-hydroxyisoindole-1,3-dione
Basic Information
CAS
50727-06-5
Multi CAS
No
Molecular Formula
C8H5NO3
Molecular Weight
163.130000
Exact Mass
163.026943
InChI
InChI=1S/C8H5NO3/c10-4-1-2-5-6(3-4)8(12)9-7(5)11/h1-3,10H,(H,9,11,12)
InChIKey
NHXFINXXELODNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.9
TPSA
66.4
LogP / Solubility
WLOGP
0.28
MLOGP
0.24
XLogP3
0.8
Consensus LogP
0.44
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
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)
-3.52
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
-
-
6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
- CAS RN: 50729-78-7
- Product Code: SSC-157442
-
PI(16:0/18:1)
- CAS RN: 50730-13-7
- Product Code: starshine_CAS50730-13-7
- Purity/Analytical method: >99.0%
-
-
-
5-Chloro-3-ethylbenzo[c]isoxazole
- CAS RN: 50735-12-1
- Product Code: starshine_CAS50735-12-1
- Purity/Analytical method: >99.0%
![CAS 50729-78-7 6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/50729-78-7.gif)
![CAS 50735-12-1 5-Chloro-3-ethylbenzo[c]isoxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/50735-12-1.gif)