CAS RN: 757202-14-5
Eupalinilide D
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250730 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS757202-14-5
- Purity/Analytical Methods: >99.0%
757202-14-5 / (3aR,4R,6R,6aS,7R,9aR,9bR)-6-(chloromethyl)-4,6,7-trihydroxy-9-methyl-3-methylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Basic Information
CAS
757202-14-5
Multi CAS
Yes
Molecular Formula
C15H19CLO5
Molecular Weight
314.760000
Exact Mass
314.092101
InChI
InChI=1S/C15H19ClO5/c1-6-3-8(17)12-10(6)13-11(7(2)14(19)21-13)9(18)4-15(12,20)5-16/h3,8-13,17-18,20H,2,4-5H2,1H3/t8-,9-,10+,11-,12-,13-,15+/m1/s1
InChIKey
JNRJLCSYIQFLDS-DKLFCYGSSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
75.55
TPSA
86.99
LogP / Solubility
WLOGP
0.37
MLOGP
0.34
XLogP3
-0.1
Consensus LogP
0.2
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
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