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CAS 76343-93-6 LATRUNCULIN A molecular structure lightbox
CAS RN: 76343-93-6

LATRUNCULIN A

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100μg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS76343-93-6
  • Purity/Analytical Methods: >99.0%
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76343-93-6 / 4-(17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-1,3-thiazolidin-2-one

Standard CAS: 76343-93-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76343-93-6
Multi CAS
Yes
Molecular Formula
C22H31NO5S
Molecular Weight
421.600000
Exact Mass
421.192294
InChI
InChI=1S/C22H31NO5S/c1-15-7-5-3-4-6-8-16(2)11-20(24)27-18-12-17(10-9-15)28-22(26,13-18)19-14-29-21(25)23-19/h3-5,7,11,15,17-19,26H,6,8-10,12-14H2,1-2H3,(H,23,25)
InChIKey
DDVBPZROPPMBLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
113.38
TPSA
84.86

LogP / Solubility

WLOGP
3.86
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.66
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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