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CAS 56106-05-9 N-(4-Methoxy-phenyl)-succinamic acid molecular structure lightbox
CAS RN: 56106-05-9

N-(4-Methoxy-phenyl)-succinamic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 10mg / 50mg Out of stock 15 business days Inquiry
  • Product code: LINN929113
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56106-05-9 / 4-(4-methoxyanilino)-4-oxobutanoic acid

Standard CAS: 56106-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56106-05-9
Multi CAS
No
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-16-9-4-2-8(3-5-9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKey
SXTDOBIIAISFSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.49
TPSA
75.63

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
0.5
Consensus LogP
1.11
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-3.02

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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