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CAS 1922129-42-7 Galanganone A molecular structure lightbox
CAS RN: 1922129-42-7

Galanganone A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1922129-42-7
  • Purity/Analytical Methods: >99.0%
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1922129-42-7 / (E)-1-[2,4-dihydroxy-3-[(E)-1-(4-hydroxyphenyl)dec-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Standard CAS: 1922129-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1922129-42-7
Multi CAS
No
Molecular Formula
C32H36O6
Molecular Weight
516.600000
Exact Mass
516.251189
SMILES
CCCCCCC/C=C/C(C1=CC=C(C=C1)O)C2=C(C(=C(C=C2O)OC)C(=O)/C=C/C3=CC=C(C=C3)O)O
InChI
InChI=1S/C32H36O6/c1-3-4-5-6-7-8-9-10-26(23-14-18-25(34)19-15-23)30-28(36)21-29(38-2)31(32(30)37)27(35)20-13-22-11-16-24(33)17-12-22/h9-21,26,33-34,36-37H,3-8H2,1-2H3/b10-9+,20-13+/t26-/m0/s1
InChIKey
FKJLOLGRGDUOPS-UPVHLIOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
4
Molar refractivity
150.26
TPSA
107.22

LogP / Solubility

WLOGP
7.46
MLOGP
6.6
XLogP3
8.7
Consensus LogP
7.59
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-9.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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