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CAS 479195-44-3 Loureiriol molecular structure lightbox
CAS RN: 479195-44-3

Loureiriol

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 10mg Out of stock 15 business days Inquiry
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  • Product code: starshine_CAS479195-44-3
  • Purity/Analytical Methods: >99.0%
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479195-44-3 / (3R)-3,5,7-trihydroxy-3-[(4-hydroxyphenyl)methyl]-2H-chromen-4-one

Standard CAS: 479195-44-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479195-44-3
Multi CAS
Yes
Molecular Formula
C16H14O6
Molecular Weight
302.280000
Exact Mass
302.079038
InChI
InChI=1S/C16H14O6/c17-10-3-1-9(2-4-10)7-16(21)8-22-13-6-11(18)5-12(19)14(13)15(16)20/h1-6,17-19,21H,7-8H2/t16-/m1/s1
InChIKey
CKOAWBPJSODKQL-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
76.36
TPSA
107.22

LogP / Solubility

WLOGP
1.35
MLOGP
1.2
XLogP3
2.1
Consensus LogP
1.55
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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