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CAS 432540-82-4 2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid molecular structure lightbox
CAS RN: 432540-82-4

2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250722 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS432540-82-4
  • Purity/Analytical Methods: >99.0%
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432540-82-4 / 2-(4,8-dimethyl-2-oxochromen-7-yl)oxypropanoic acid

Standard CAS: 432540-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
432540-82-4
Multi CAS
No
Molecular Formula
C14H14O5
Molecular Weight
262.260000
Exact Mass
262.084124
InChI
InChI=1S/C14H14O5/c1-7-6-12(15)19-13-8(2)11(5-4-10(7)13)18-9(3)14(16)17/h4-6,9H,1-3H3,(H,16,17)
InChIKey
ZPMUQDKHXOEAMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.68
TPSA
76.74

LogP / Solubility

WLOGP
2.26
MLOGP
2
XLogP3
2.2
Consensus LogP
2.15
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly 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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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