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CAS 62134-55-8 4-(4-ACETYLANILINO)-4-OXOBUTANOIC ACID molecular structure lightbox
CAS RN: 62134-55-8

4-(4-ACETYLANILINO)-4-OXOBUTANOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62134-55-8
  • Purity/Analytical Methods: >99.0%
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62134-55-8 / 4-(4-acetylanilino)-4-oxobutanoic acid

Standard CAS: 62134-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62134-55-8
Multi CAS
No
Molecular Formula
C12H13NO4
Molecular Weight
235.240000
Exact Mass
235.084458
InChI
InChI=1S/C12H13NO4/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKey
HLGOIZJQTLJRAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.95
TPSA
83.47

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
0.7
Consensus LogP
1.29
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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