CAS RN: 57369-97-8
5-aMinoisophthalonitrile
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.20250410 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-165489
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
57369-97-8 / 5-aminobenzene-1,3-dicarbonitrile
Basic Information
CAS
57369-97-8
Multi CAS
No
Molecular Formula
C8H5N3
Molecular Weight
143.150000
Exact Mass
143.048347
InChI
InChI=1S/C8H5N3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,11H2
InChIKey
UBFORUHJOUPFHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.28
TPSA
73.6
LogP / Solubility
WLOGP
1.01
MLOGP
0.88
XLogP3
0.7
Consensus LogP
0.86
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-2.87
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
-
3-(4-(Benzyloxy)-3-Methoxyphenyl)propan-1-ol
- CAS RN: 57371-44-5
- Product Code: starshine_CAS57371-44-5
- Purity/Analytical method: >99.0%
-
1-[5-(tert-Butyl)-2-hydroxyphenyl]ethan-1-one, 2-Acetyl-4-(tert-butyl)phenol
- CAS RN: 57373-81-6
- Product Code: SSC-165499
-
biotin
- CAS RN: 57378-70-8
- Product Code: starshine_CAS57378-70-8
- Purity/Analytical method: >99.0%
-
-
Irsogladine
- CAS RN: 57381-26-7
- Product Code: starshine_CAS57381-26-7
- Purity/Analytical method: >99.0%
-
![CAS 57373-81-6 1-[5-(tert-Butyl)-2-hydroxyphenyl]ethan-1-one, 2-Acetyl-4-(tert-butyl)phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57373-81-6.gif)
