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CAS 149155-19-1 Homaloside D molecular structure lightbox
CAS RN: 149155-19-1

Homaloside D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS149155-19-1
  • Purity/Analytical Methods: >99.0%
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149155-19-1 / [3,4,5-trihydroxy-6-[4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)oxymethyl]phenoxy]oxan-2-yl]methyl benzoate

Standard CAS: 149155-19-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149155-19-1
Multi CAS
No
Molecular Formula
C27H28O12
Molecular Weight
544.500000
Exact Mass
544.158076
SMILES
C1CC(=O)C(C=C1)(C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)O)O)O)O
InChI
InChI=1S/C27H28O12/c28-17-9-10-18(16(12-17)13-37-26(34)27(35)11-5-4-8-20(27)29)38-25-23(32)22(31)21(30)19(39-25)14-36-24(33)15-6-2-1-3-7-15/h1-3,5-7,9-12,19,21-23,25,28,30-32,35H,4,8,13-14H2
InChIKey
WVZFLDUSZYAGPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
5
Molar refractivity
130.27
TPSA
189.28

LogP / Solubility

WLOGP
0.13
MLOGP
0.15
XLogP3
0.8
Consensus LogP
0.36
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.95

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
7.5

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