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CAS 433703-81-2 Methyl (7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate molecular structure lightbox
CAS RN: 433703-81-2

Methyl (7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS433703-81-2
  • Purity/Analytical Methods: >99.0%
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433703-81-2 / methyl 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetate

Standard CAS: 433703-81-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
433703-81-2
Multi CAS
No
Molecular Formula
C14H14O5
Molecular Weight
262.260000
Exact Mass
262.084124
InChI
InChI=1S/C14H14O5/c1-7-9-4-5-11(15)8(2)13(9)19-14(17)10(7)6-12(16)18-3/h4-5,15H,6H2,1-3H3
InChIKey
VHNZFXKDCIJJSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.34
TPSA
76.74

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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