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CAS 23753-57-3 (1aS,7R,7aR,10aS,11aS)-1a,2,3,7a,8,10a,11,11a-Octahydro-11a-methyl-8-methylene-5H-7,4-methenofuro[3,2-c]oxireno[f]oxacycloundecin-5,9(7H)-dione molecular structure lightbox
CAS RN: 23753-57-3

(1aS,7R,7aR,10aS,11aS)-1a,2,3,7a,8,10a,11,11a-Octahydro-11a-methyl-8-methylene-5H-7,4-methenofuro[3,2-c]oxireno[f]oxacycloundecin-5,9(7H)-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23753-57-3
  • Purity/Analytical Methods: >99.0%
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23753-57-3 / 8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione

Standard CAS: 23753-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23753-57-3
Multi CAS
No
Molecular Formula
C15H16O5
Molecular Weight
276.280000
Exact Mass
276.099774
SMILES
CC12CC3C(C4C=C(CCC1O2)C(=O)O4)C(=C)C(=O)O3
InChI
InChI=1S/C15H16O5/c1-7-12-9-5-8(14(17)18-9)3-4-11-15(2,20-11)6-10(12)19-13(7)16/h5,9-12H,1,3-4,6H2,2H3
InChIKey
XASRCIGCTSZFAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.6
H-bond acceptors
5
Molar refractivity
67.6
TPSA
65.13

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.3
Consensus LogP
1.24
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8

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