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CAS 1922129-43-8 Galanganone B molecular structure lightbox
CAS RN: 1922129-43-8

Galanganone B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260411 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1922129-43-8
  • Purity/Analytical Methods: >99.0%
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1922129-43-8 / (E)-1-[2,4-dihydroxy-3-[(E,1S)-1-(4-hydroxyphenyl)dodec-2-enyl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Standard CAS: 1922129-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1922129-43-8
Multi CAS
No
Molecular Formula
C34H40O6
Molecular Weight
544.700000
Exact Mass
544.282489
SMILES
CCCCCCCCC/C=C/[C@@H](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/C34H40O6/c1-3-4-5-6-7-8-9-10-11-12-28(25-16-20-27(36)21-17-25)32-30(38)23-31(40-2)33(34(32)39)29(37)22-15-24-13-18-26(35)19-14-24/h11-23,28,35-36,38-39H,3-10H2,1-2H3/b12-11+,22-15+/t28-/m0/s1
InChIKey
NVLDQJNCARJUPM-RECGWBGGSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
4
Molar refractivity
159.49
TPSA
107.22

LogP / Solubility

WLOGP
8.24
MLOGP
7.29
XLogP3
9.8
Consensus LogP
8.44
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-9.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.84
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)
-0.19

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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