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CAS 53760-19-3 Cytochalasin H molecular structure lightbox
CAS RN: 53760-19-3

Cytochalasin H

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS53760-19-3
  • Purity/Analytical Methods: >99.0%
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53760-19-3 / (16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate

Standard CAS: 53760-19-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53760-19-3
Multi CAS
Yes
Molecular Formula
C30H39NO5
Molecular Weight
493.600000
Exact Mass
493.282823
InChI
InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1
InChIKey
NAEWXXDGBKTIMN-OWTACEMYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
138.66
TPSA
95.86

LogP / Solubility

WLOGP
3.74
MLOGP
3.32
XLogP3
3.4
Consensus LogP
3.49
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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