CAS RN: 58632-96-5
3-aMinophthalonitrile
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.20260112 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58632-96-5
- Purity/Analytical Methods: >99.0%
58632-96-5 / 3-aminobenzene-1,2-dicarbonitrile
Basic Information
CAS
58632-96-5
Multi CAS
No
Molecular Formula
C8H5N3
Molecular Weight
143.150000
Exact Mass
143.048347
InChI
InChI=1S/C8H5N3/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,11H2
InChIKey
IHCNWWQQHZNTSG-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
1.2
Consensus LogP
1.03
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
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