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CAS 102-33-0 N-(3-amino-4-hydroxyphenyl)acetamide molecular structure lightbox
CAS RN: 102-33-0

N-(3-amino-4-hydroxyphenyl)acetamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260212 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS102-33-0
  • Purity/Analytical Methods: >99.0%
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102-33-0 / N-(3-amino-4-hydroxyphenyl)acetamide

N-(3-Amino-4-hydroxyphenyl)acetamide | Acetamide, N-(3-amino-4-hydroxyphenyl)- | EINECS 203-025-7

Standard CAS: 102-33-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102-33-0
Multi CAS
Yes
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
CC(=O)NC1=CC(=C(C=C1)O)N
InChI
InChI=1S/C8H10N2O2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,9H2,1H3,(H,10,11)
InChIKey
ZZLSKMRCEGCSIH-UHFFFAOYSA-N
Synonyms
N-(3-Amino-4-hydroxyphenyl)acetamide Acetamide, N-(3-amino-4-hydroxyphenyl)- EINECS 203-025-7 DTXSID5059248 RefChem:108835

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.82
TPSA
75.35

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.4
Consensus LogP
0.72
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.07

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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