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CAS 1529775-04-9 Guajadial D molecular structure lightbox
CAS RN: 1529775-04-9

Guajadial D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1529775-04-9
  • Purity/Analytical Methods: >99.0%
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1529775-04-9 / 5',7'-dihydroxy-4-methyl-4'-phenyl-1-propan-2-ylspiro[2,3,4,4a,5,6-hexahydro-1H-naphthalene-7,2'-3,4-dihydrochromene]-6',8'-dicarbaldehyde

Standard CAS: 1529775-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1529775-04-9
Multi CAS
No
Molecular Formula
C30H34O5
Molecular Weight
474.600000
Exact Mass
474.240624
SMILES
CC1CCC(C2=CC3(CCC12)CC(C4=C(C(=C(C(=C4O3)C=O)O)C=O)O)C5=CC=CC=C5)C(C)C
InChI
InChI=1S/C30H34O5/c1-17(2)20-10-9-18(3)21-11-12-30(14-23(20)21)13-22(19-7-5-4-6-8-19)26-28(34)24(15-31)27(33)25(16-32)29(26)35-30/h4-8,14-18,20-22,33-34H,9-13H2,1-3H3
InChIKey
FKDKMNYVVXIPCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
134.34
TPSA
83.83

LogP / Solubility

WLOGP
6.41
MLOGP
5.68
XLogP3
6.7
Consensus LogP
6.26
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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