CAS RN: 1061358-40-4
4-amino-3-methoxy-N,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.20260116 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1061358-40-4
- Purity/Analytical Methods: >99.0%
1061358-40-4 / 4-amino-3-methoxy-N,N-dimethylbenzamide
4-amino-3-methoxy-N,N-dimethylbenzamide | MFCD18338472 | 4-amino-3-methoxy-N,N-dimethyl-benzamide
Basic Information
CAS
1061358-40-4
Multi CAS
No
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
SMILES
CN(C)C(=O)C1=CC(=C(C=C1)N)OC
InChI
InChI=1S/C10H14N2O2/c1-12(2)10(13)7-4-5-8(11)9(6-7)14-3/h4-6H,11H2,1-3H3
InChIKey
PJKKOUHPNPDYBG-UHFFFAOYSA-N
Synonyms
4-amino-3-methoxy-N,N-dimethylbenzamide
MFCD18338472
4-amino-3-methoxy-N,N-dimethyl-benzamide
SCHEMBL358787
PJKKOUHPNPDYBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.42
TPSA
55.56
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.85
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.21
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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