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CAS 204134-70-3 4′-Hydroxy-2-O-Methylanigorufone molecular structure lightbox
CAS RN: 204134-70-3

4′-Hydroxy-2-O-Methylanigorufone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS204134-70-3
  • Purity/Analytical Methods: >99.0%
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204134-70-3 / 9-(4-hydroxyphenyl)-2-methoxyphenalen-1-one

Standard CAS: 204134-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204134-70-3
Multi CAS
No
Molecular Formula
C20H14O3
Molecular Weight
302.300000
Exact Mass
302.094294
SMILES
COC1=CC2=CC=CC3=C2C(=C(C=C3)C4=CC=C(C=C4)O)C1=O
InChI
InChI=1S/C20H14O3/c1-23-17-11-14-4-2-3-13-7-10-16(19(18(13)14)20(17)22)12-5-8-15(21)9-6-12/h2-11,21H,1H3
InChIKey
PXMSSFOVGYLJLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.37
TPSA
46.53

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
4.6
Consensus LogP
4.29
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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