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CAS 130783-32-3 Benzoylgomisin O molecular structure lightbox
CAS RN: 130783-32-3

Benzoylgomisin O

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS130783-32-3
  • Purity/Analytical Methods: >99.0%
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130783-32-3 / [(8R,9S,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate

Standard CAS: 130783-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130783-32-3
Multi CAS
No
Molecular Formula
C30H32O8
Molecular Weight
520.600000
Exact Mass
520.209718
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@H]1C)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3
InChI
InChI=1S/C30H32O8/c1-16-12-19-13-22-27(37-15-36-22)28(34-5)23(19)24-20(14-21(32-3)26(33-4)29(24)35-6)25(17(16)2)38-30(31)18-10-8-7-9-11-18/h7-11,13-14,16-17,25H,12,15H2,1-6H3/t16-,17-,25+/m0/s1
InChIKey
XUGSROZUUURBSW-XOWTYJCDSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
8
Molar refractivity
140.84
TPSA
81.68

LogP / Solubility

WLOGP
5.84
MLOGP
5.18
XLogP3
6.2
Consensus LogP
5.74
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-8.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
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)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
6.5

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