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CAS 36011-19-5 CYTOCHALASIN E molecular structure lightbox
CAS RN: 36011-19-5

CYTOCHALASIN E

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260123 1mg In stock Shanghai Inquiry
Batchno.20251214 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS36011-19-5
  • Purity/Analytical Methods: >99.0%
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36011-19-5 / 19-benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione

Standard CAS: 36011-19-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36011-19-5
Multi CAS
Yes
Molecular Formula
C28H33NO7
Molecular Weight
495.600000
Exact Mass
495.225702
InChI
InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
InChIKey
LAJXCUNOQSHRJO-ZYGJITOWSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
129.49
TPSA
114.46

LogP / Solubility

WLOGP
3.09
MLOGP
2.75
XLogP3
3.5
Consensus LogP
3.11
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

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)
-3.55

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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