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CAS 66056-23-3 Benzoylgomisin H molecular structure lightbox
CAS RN: 66056-23-3

Benzoylgomisin H

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS66056-23-3
  • Purity/Analytical Methods: >99.0%
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66056-23-3 / [(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate

Standard CAS: 66056-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66056-23-3
Multi CAS
Yes
Molecular Formula
C30H34O8
Molecular Weight
522.600000
Exact Mass
522.225368
InChI
InChI=1S/C30H34O8/c1-17-13-19-14-21(33-3)26(36-6)28(38-29(31)18-11-9-8-10-12-18)23(19)24-20(16-30(17,2)32)15-22(34-4)25(35-5)27(24)37-7/h8-12,14-15,17,32H,13,16H2,1-7H3/t17-,30-/m0/s1
InChIKey
AZQOQICAWOAGEN-ZOKDDAQRSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
143.23
TPSA
92.68

LogP / Solubility

WLOGP
5.1
MLOGP
4.53
XLogP3
5.5
Consensus LogP
5.04
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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