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CAS 26153-26-4 1-NAPHTHOYLFORMIC ACID molecular structure lightbox
CAS RN: 26153-26-4

1-NAPHTHOYLFORMIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26153-26-4
  • Purity/Analytical Methods: >99.0%
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26153-26-4 / 2-naphthalen-1-yl-2-oxoacetic acid

Standard CAS: 26153-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26153-26-4
Multi CAS
No
Molecular Formula
C12H8O3
Molecular Weight
200.190000
Exact Mass
200.047344
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C(=O)O
InChI
InChI=1S/C12H8O3/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,14,15)
InChIKey
ACXGUQLILSWMPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.91
TPSA
54.37

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
3
Consensus LogP
2.32
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

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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