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CAS 76343-94-7 LATRUNCULIN B molecular structure lightbox
CAS RN: 76343-94-7

LATRUNCULIN B

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 1mg In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS76343-94-7
  • Purity/Analytical Methods: >99.0%
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76343-94-7 / 4-(15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl)-1,3-thiazolidin-2-one

Standard CAS: 76343-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76343-94-7
Multi CAS
Yes
Molecular Formula
C20H29NO5S
Molecular Weight
395.500000
Exact Mass
395.176644
InChI
InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1
InChIKey
NSHPHXHGRHSMIK-JRIKCGFMSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
104.24
TPSA
84.86

LogP / Solubility

WLOGP
3.3
MLOGP
2.93
XLogP3
2.9
Consensus LogP
3.04
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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)
-2.79

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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