CAS RN: 32114-73-1
2-Nitroisophthalamide
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.20250112 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS32114-73-1
- Purity/Analytical Methods: >99.0%
32114-73-1 / 2-nitrobenzene-1,3-dicarboxamide
Basic Information
CAS
32114-73-1
Multi CAS
No
Molecular Formula
C8H7N3O4
Molecular Weight
209.160000
Exact Mass
209.043656
InChI
InChI=1S/C8H7N3O4/c9-7(12)4-2-1-3-5(8(10)13)6(4)11(14)15/h1-3H,(H2,9,12)(H2,10,13)
InChIKey
SGVRCXLEYPXYIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.13
TPSA
129.32
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.18
XLogP3
-0.5
Consensus LogP
-0.3
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
