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CAS 578710-52-8 Myrianthic acid 3,23-acetonide molecular structure lightbox
CAS RN: 578710-52-8

Myrianthic acid 3,23-acetonide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260111 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS578710-52-8
  • Purity/Analytical Methods: >99.0%
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578710-52-8 / (1R,2R,4R,5S,10R,11R,14R,15S,18S,21R,22R,23S)-4,22-dihydroxy-2,7,7,10,14,15,21,22-octamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid

Standard CAS: 578710-52-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
578710-52-8
Multi CAS
Yes
Molecular Formula
C33H52O6
Molecular Weight
544.800000
Exact Mass
544.376389
InChI
InChI=1S/C33H52O6/c1-19-11-14-33(26(35)36)16-15-30(6)20(24(33)32(19,8)37)9-10-23-28(4)17-21(34)25-29(5,18-38-27(2,3)39-25)22(28)12-13-31(23,30)7/h9,19,21-25,34,37H,10-18H2,1-8H3,(H,35,36)/t19-,21-,22-,23-,24-,25-,28+,29+,30-,31-,32-,33+/m1/s1
InChIKey
IZOHEKFGZPQWLJ-IIDQBFDUSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
148.68
TPSA
96.22

LogP / Solubility

WLOGP
5.95
MLOGP
5.27
XLogP3
5.3
Consensus LogP
5.51
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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