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CAS 1803598-57-3 N,4-dimethoxy-N,2-dimethylbenzamide molecular structure lightbox
CAS RN: 1803598-57-3

N,4-dimethoxy-N,2-dimethylbenzamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1803598-57-3
  • Purity/Analytical Methods: >99.0%
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1803598-57-3 / N,4-dimethoxy-N,2-dimethylbenzamide

Standard CAS: 1803598-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1803598-57-3
Multi CAS
No
Molecular Formula
C11H15NO3
Molecular Weight
209.240000
Exact Mass
209.105193
SMILES
CC1=C(C=CC(=C1)OC)C(=O)N(C)OC
InChI
InChI=1S/C11H15NO3/c1-8-7-9(14-3)5-6-10(8)11(13)12(2)15-4/h5-7H,1-4H3
InChIKey
LGXNGQKXOAFEKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
56.83
TPSA
38.77

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.8
Consensus LogP
1.63
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.83

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

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