CAS RN: 76343-94-7
LATRUNCULIN B
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 1mg | In stock | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS76343-94-7
- Purity/Analytical Methods: >99.0%
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
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)
InChIKey
NSHPHXHGRHSMIK-UHFFFAOYSA-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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