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CAS 23130-22-5 SCUTELLAREIN-7-METHYL ETHER molecular structure lightbox
CAS RN: 23130-22-5

SCUTELLAREIN-7-METHYL ETHER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS23130-22-5
  • Purity/Analytical Methods: >99.0%
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23130-22-5 / 5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

Standard CAS: 23130-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23130-22-5
Multi CAS
No
Molecular Formula
C16H12O6
Molecular Weight
300.260000
Exact Mass
300.063388
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
InChIKey
UWARRXZVZDFPQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
79.47
TPSA
100.13

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
1.7
Consensus LogP
2.19
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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