CAS RN: 1249563-99-2
5-Amino-2,N-dimethylbenzamide
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.20251204 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: LINA915810
1249563-99-2 / 5-amino-N,2-dimethylbenzamide
Basic Information
CAS
1249563-99-2
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
SMILES
CC1=C(C=C(C=C1)N)C(=O)NC
InChI
InChI=1S/C9H12N2O/c1-6-3-4-7(10)5-8(6)9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
CJFBLRZEQRGODB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.98
TPSA
55.12
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
0.9
Consensus LogP
0.89
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.06
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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