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CAS 86363-50-0 5,8-epidioxyergosta-6,9(11),22-trien-3-ol molecular structure lightbox
CAS RN: 86363-50-0

5,8-epidioxyergosta-6,9(11),22-trien-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS86363-50-0
  • Purity/Analytical Methods: >99.0%
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86363-50-0 / (1R,2R,5R,6R,10R,13S,15R)-5-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

Standard CAS: 86363-50-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86363-50-0
Multi CAS
Yes
Molecular Formula
C28H42O3
Molecular Weight
426.600000
Exact Mass
426.313395
InChI
InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27-,28+/m0/s1
InChIKey
FWPYIYVSYQRISA-ZJBQAQMGSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.79
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
124.06
TPSA
38.69

LogP / Solubility

WLOGP
6.39
MLOGP
5.65
XLogP3
6.1
Consensus LogP
6.05
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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