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CAS 185213-52-9 Scabertopin molecular structure lightbox
CAS RN: 185213-52-9

Scabertopin

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260606 10mg In stock Shanghai Inquiry
Batchno.20250412 1mg In stock Shanghai Inquiry
Batchno.20250730 25mg In stock Shanghai Inquiry
Batchno.20250902 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250418 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS185213-52-9
  • Purity/Analytical Methods: >99.0%
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185213-52-9 / [(3S,4R,8R,9Z,12S)-10-methyl-5-methylidene-6,14-dioxo-7,13-dioxatricyclo[10.2.1.04,8]pentadeca-1(15),9-dien-3-yl] (Z)-2-methylbut-2-enoate

Standard CAS: 185213-52-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185213-52-9
Multi CAS
No
Molecular Formula
C20H22O6
Molecular Weight
358.400000
Exact Mass
358.141638
SMILES
C/C=C(/C)\C(=O)O[C@H]1CC2=C[C@H](C/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)OC2=O
InChI
InChI=1S/C20H22O6/c1-5-11(3)18(21)25-16-9-13-8-14(24-20(13)23)6-10(2)7-15-17(16)12(4)19(22)26-15/h5,7-8,14-17H,4,6,9H2,1-3H3/b10-7+,11-5-/t14-,15-,16+,17+/m1/s1
InChIKey
FTPHYXGWMIZVMP-GAFRNKKQSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
92.78
TPSA
78.9

LogP / Solubility

WLOGP
2.55
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.47
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09

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
8

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