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CAS 24327-08-0 ENDO-BICYCLO[2.2.2]OCT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE molecular structure lightbox
CAS RN: 24327-08-0

ENDO-BICYCLO[2.2.2]OCT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24327-08-0
  • Purity/Analytical Methods: >99.0%
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24327-08-0 / (1S,2R,6S,7R)-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

Standard CAS: 24327-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24327-08-0
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
SMILES
C1C[C@H]2C=C[C@@H]1[C@H]3[C@@H]2C(=O)OC3=O
InChI
InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2/t5-,6+,7-,8+
InChIKey
YIHKILSPWGDWPR-KVFPUHGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.6
H-bond acceptors
3
Molar refractivity
43.43
TPSA
43.37

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
1.2
Consensus LogP
0.96
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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