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CAS 24870-10-8 N-(4-METHOXYPHENYL)MALEAMIC ACID molecular structure lightbox
CAS RN: 24870-10-8

N-(4-METHOXYPHENYL)MALEAMIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251231 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS24870-10-8
  • Purity/Analytical Methods: >99.0%
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24870-10-8 / 4-(4-methoxyanilino)-4-oxobut-2-enoic acid

Standard CAS: 24870-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24870-10-8
Multi CAS
No
Molecular Formula
C11H11NO4
Molecular Weight
221.210000
Exact Mass
221.068808
SMILES
COC1=CC=C(C=C1)NC(=O)C=CC(=O)O
InChI
InChI=1S/C11H11NO4/c1-16-9-4-2-8(3-5-9)12-10(13)6-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKey
CCFLBHDPAUAJMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.4
TPSA
75.63

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
0.8
Consensus LogP
1.06
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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