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CAS 13657-68-6 Curdione molecular structure lightbox
CAS RN: 13657-68-6

Curdione

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 100mg In stock Shanghai Inquiry
Batchno.20250511 10mg In stock Shanghai Inquiry
Batchno.20251129 250mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS13657-68-6
  • Purity/Analytical Methods: >99.0%
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13657-68-6 / (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione

Standard CAS: 13657-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13657-68-6
Multi CAS
No
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
SMILES
C[C@H]1CC/C=C(/CC(=O)[C@@H](CC1=O)C(C)C)\C
InChI
InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/t12-,13-/m0/s1
InChIKey
KDPFMRXIVDLQKX-STQMWFEESA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.73
TPSA
34.14

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
2.7
Consensus LogP
3.13
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-1.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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