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CAS 7291-34-1 o-Methoxy-N,N-dimethylbenzamide molecular structure lightbox
CAS RN: 7291-34-1

o-Methoxy-N,N-dimethylbenzamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7291-34-1
  • Purity/Analytical Methods: >99.0%
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7291-34-1 / 2-methoxy-N,N-dimethylbenzamide

Standard CAS: 7291-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7291-34-1
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-11(2)10(12)8-6-4-5-7-9(8)13-3/h4-7H,1-3H3
InChIKey
ZBWYZLANPMFDMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.01
TPSA
29.54

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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