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CAS 20086-60-6 Epindosin molecular structure lightbox
CAS RN: 20086-60-6

Epindosin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251126 5mg Out of stock Inquiry
  • Product code: starshine_CAS20086-60-6
  • Purity/Analytical Methods: >99.0%
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20086-60-6 / (1S,4S,8R,9R,12S,13S,14S,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione

Standard CAS: 20086-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20086-60-6
Multi CAS
No
Molecular Formula
C20H26O6
Molecular Weight
362.400000
Exact Mass
362.172939
SMILES
CC1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)O)[C@@H]4[C@H](C[C@@H]5C[C@]4(C(=O)C5=C)C(=O)O2)O)C
InChI
InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,16-,19+,20+/m1/s1
InChIKey
WZYJEEIAFBHYJS-YXZSDFPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
89.58
TPSA
93.06

LogP / Solubility

WLOGP
1.2
MLOGP
1.07
XLogP3
1.5
Consensus LogP
1.26
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-4.08

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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