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CAS 36651-81-7 5-methyl-8-hydroxycoumarin molecular structure lightbox
CAS RN: 36651-81-7

5-methyl-8-hydroxycoumarin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36651-81-7
  • Purity/Analytical Methods: >99.0%
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36651-81-7 / 8-hydroxy-5-methylchromen-2-one

Standard CAS: 36651-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36651-81-7
Multi CAS
No
Molecular Formula
C10H8O3
Molecular Weight
176.170000
Exact Mass
176.047344
InChI
InChI=1S/C10H8O3/c1-6-2-4-8(11)10-7(6)3-5-9(12)13-10/h2-5,11H,1H3
InChIKey
LFIPWJLWVGROTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.89
TPSA
50.44

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.77
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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