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CAS 85287-60-1 10,13-Dideoxy-10α,21-epoxy-5β-hydroxyenmein molecular structure lightbox
CAS RN: 85287-60-1

10,13-Dideoxy-10α,21-epoxy-5β-hydroxyenmein

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260619 1mg Out of stock Inquiry
  • Product code: starshine_CAS85287-60-1
  • Purity/Analytical Methods: >99.0%
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85287-60-1 / 3-hydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione

Standard CAS: 85287-60-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85287-60-1
Multi CAS
Yes
Molecular Formula
C20H24O6
Molecular Weight
360.400000
Exact Mass
360.157288
InChI
InChI=1S/C20H24O6/c1-9-10-5-11(21)13-19(6-10,15(9)22)17(23)26-12-3-4-18(2)7-24-16-14(18)20(12,13)8-25-16/h10-14,16,21H,1,3-8H2,2H3/t10-,11-,12+,13-,14-,16+,18+,19+,20+/m1/s1
InChIKey
VITOUEAQSWAQLD-ZIFJAMSESA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.64
TPSA
82.06

LogP / Solubility

WLOGP
1.21
MLOGP
1.09
XLogP3
1.2
Consensus LogP
1.17
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)
-4.06

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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