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CAS 43134-76-5 4-acetylamino-2-aminobenzoic acid molecular structure lightbox
CAS RN: 43134-76-5

4-acetylamino-2-aminobenzoic acid

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3 package records3 with current stock1 grade group
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Batchno.20250101 1g In stock Inquiry
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  • Product code: starshine_CAS43134-76-5
  • Purity/Analytical Methods: >99.0%
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43134-76-5 / 4-acetamido-2-aminobenzoic acid

Standard CAS: 43134-76-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
43134-76-5
Multi CAS
Yes
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
InChI
InChI=1S/C9H10N2O3/c1-5(12)11-6-2-3-7(9(13)14)8(10)4-6/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
InChIKey
IFQWBWVICSDDSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.12
TPSA
92.42

LogP / Solubility

WLOGP
0.93
MLOGP
0.81
XLogP3
1.3
Consensus LogP
1.01
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.25

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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