CAS RN: 98960-81-7
Benzamide, 2-amino-N-(2-aminoethyl)-
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.20250412 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS98960-81-7
- Purity/Analytical Methods: >99.0%
98960-81-7 / 2-amino-N-(2-aminoethyl)benzamide
Basic Information
CAS
98960-81-7
Multi CAS
No
Molecular Formula
C9H13N3O
Molecular Weight
179.220000
Exact Mass
179.105862
InChI
InChI=1S/C9H13N3O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2,(H,12,13)
InChIKey
CPVBIJDFUDYJIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.24
TPSA
81.14
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.04
XLogP3
-0.4
Consensus LogP
-0.16
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
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)
-3.84
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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