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CAS 84445-92-1 2′-Amino-6′-methylacetanilide, 97%(HPLC) molecular structure lightbox
CAS RN: 84445-92-1

2′-Amino-6′-methylacetanilide, 97%(HPLC)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINA926688
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84445-92-1 / N-(2-amino-6-methylphenyl)acetamide

Standard CAS: 84445-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84445-92-1
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
InChI
InChI=1S/C9H12N2O/c1-6-4-3-5-8(10)9(6)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKey
CDQDPNFLCSCJCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.9
TPSA
55.12

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
-0.1
Consensus LogP
0.93
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-2.63

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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