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CAS 21255-69-6 O-desmethylangolensin molecular structure lightbox
CAS RN: 21255-69-6

O-desmethylangolensin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 5mg In stock Shandong Inquiry
  • Product code: starshine_CAS21255-69-6
  • Purity/Analytical Methods: >99.0%
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21255-69-6 / 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one

Standard CAS: 21255-69-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
21255-69-6
Multi CAS
No
Molecular Formula
C15H14O4
Molecular Weight
258.270000
Exact Mass
258.089209
SMILES
CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3
InChIKey
JDJPNKPFDDUBFV-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
70.62
TPSA
77.76

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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