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CAS 77573-44-5 (1aR,7bR)-1aα,2,7aα,13,14,14aα-Hexahydro-1,1,6,6,9,9,11,13α-octamethyl-10aαH-2α,12aα-methano-1H,4H-cyclopropa[5,6][1,3]dioxolo[2′,3′]cyclopenta[1′,2′:9,10]cyclodeca[1,2-d][1,3]dioxin-15-one molecular structure lightbox
CAS RN: 77573-44-5

(1aR,7bR)-1aα,2,7aα,13,14,14aα-Hexahydro-1,1,6,6,9,9,11,13α-octamethyl-10aαH-2α,12aα-methano-1H,4H-cyclopropa[5,6][1,3]dioxolo[2′,3′]cyclopenta[1′,2′:9,10]cyclodeca[1,2-d][1,3]dioxin-15-one

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260226 1mg / 5mg Out of stock 5-7 business days Inquiry
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Batchno.20260419 10mg Out of stock Inquiry
  • Product code: starshine_CAS77573-44-5
  • Purity/Analytical Methods: >99.0%
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77573-44-5 / 3,6,6,11,11,18,18,21-octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.01,8.04,8.09,14.017,19]docosa-2,14-dien-22-one

Standard CAS: 77573-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77573-44-5
Multi CAS
Yes
Molecular Formula
C26H36O5
Molecular Weight
428.600000
Exact Mass
428.256274
InChI
InChI=1S/C26H36O5/c1-13-11-25-14(2)9-17-18(22(17,3)4)16(19(25)27)10-15-12-28-23(5,6)30-21(15)26(25)20(13)29-24(7,8)31-26/h10-11,14,16-18,20-21H,9,12H2,1-8H3
InChIKey
JOKBBQPBIIZMJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.81
H-bond acceptors
5
Molar refractivity
114.98
TPSA
53.99

LogP / Solubility

WLOGP
4.41
MLOGP
3.91
XLogP3
2.8
Consensus LogP
3.71
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2

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
10

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