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CAS 1922129-46-1 Galanganone C molecular structure lightbox
CAS RN: 1922129-46-1

Galanganone C

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1922129-46-1
  • Purity/Analytical Methods: >99.0%
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1922129-46-1 / (E)-1-[2,4-dihydroxy-3-[(E,1S)-1-(4-hydroxyphenyl)dec-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one

Standard CAS: 1922129-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1922129-46-1
Multi CAS
No
Molecular Formula
C32H36O5
Molecular Weight
500.600000
Exact Mass
500.256274
SMILES
CCCCCCC/C=C/[C@@H](C1=CC=C(C=C1)O)C2=C(C(=C(C=C2O)OC)C(=O)/C=C/C3=CC=CC=C3)O
InChI
InChI=1S/C32H36O5/c1-3-4-5-6-7-8-12-15-26(24-17-19-25(33)20-18-24)30-28(35)22-29(37-2)31(32(30)36)27(34)21-16-23-13-10-9-11-14-23/h9-22,26,33,35-36H,3-8H2,1-2H3/b15-12+,21-16+/t26-/m0/s1
InChIKey
HVSDKHNCKUMQKI-WQMXANTKSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
3
Molar refractivity
148.6
TPSA
86.99

LogP / Solubility

WLOGP
7.76
MLOGP
6.86
XLogP3
9
Consensus LogP
7.87
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-9.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.91
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.27

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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