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CAS 877822-40-7 Eupalinolide B molecular structure lightbox
CAS RN: 877822-40-7

Eupalinolide B

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 100mg In stock Shanghai Inquiry
Batchno.20250715 250mg Out of stock Inquiry
Batchno.20260119 25mg In stock Shanghai Inquiry
Batchno.20250921 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 20mg In stock Shanghai, Shandong Inquiry
Batchno.20260322 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS877822-40-7
  • Purity/Analytical Methods: >99.0%
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877822-40-7 / [(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate

Standard CAS: 877822-40-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
877822-40-7
Multi CAS
Yes
Molecular Formula
C24H30O9
Molecular Weight
462.500000
Exact Mass
462.188983
InChI
InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3/b13-8+,14-10+,18-6-/t19-,20+,21+,22-/m0/s1
InChIKey
HPWMABTYJYZFLK-FHEQDPKSSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
116.49
TPSA
125.43

LogP / Solubility

WLOGP
2.1
MLOGP
1.88
XLogP3
1.2
Consensus LogP
1.73
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

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
6

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