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CAS 7418-36-2 Acetamide,N-(5-methyl-2-nitrophenyl)- molecular structure lightbox
CAS RN: 7418-36-2

Acetamide,N-(5-methyl-2-nitrophenyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINA926869
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7418-36-2 / N-(5-methyl-2-nitrophenyl)acetamide

Standard CAS: 7418-36-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7418-36-2
Multi CAS
Yes
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
InChI
InChI=1S/C9H10N2O3/c1-6-3-4-9(11(13)14)8(5-6)10-7(2)12/h3-5H,1-2H3,(H,10,12)
InChIKey
PNLDBAVNZVQRLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.14
TPSA
72.24

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.58

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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