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CAS 56843-30-2 2′-Methoxy-5′-methyl-4′-nitroacetanilide molecular structure lightbox
CAS RN: 56843-30-2

2′-Methoxy-5′-methyl-4′-nitroacetanilide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINM927312
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56843-30-2 / N-(2-methoxy-5-methyl-4-nitrophenyl)acetamide

Standard CAS: 56843-30-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56843-30-2
Multi CAS
Yes
Molecular Formula
C10H12N2O4
Molecular Weight
224.210000
Exact Mass
224.079707
InChI
InChI=1S/C10H12N2O4/c1-6-4-8(11-7(2)13)10(16-3)5-9(6)12(14)15/h4-5H,1-3H3,(H,11,13)
InChIKey
ACLVOBFSJRPZQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.69
TPSA
81.47

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.3
Consensus LogP
1.61
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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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