![CAS 2958-72-7 PENTACYCLO[5.4.0(2,6).0(3,10).0(5,9)]UNDECANE-8,11-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2958-72-7.gif)
CAS RN: 2958-72-7
PENTACYCLO[5.4.0(2,6).0(3,10).0(5,9)]UNDECANE-8,11-DIONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2958-72-7
- Purity/Analytical Methods: >99.0%
2958-72-7 / pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
Basic Information
CAS
2958-72-7
Multi CAS
Yes
Molecular Formula
C11H10O2
Molecular Weight
174.200000
Exact Mass
174.068080
InChI
InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2
InChIKey
WTUFOKOJVXNYTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.82
H-bond acceptors
2
Molar refractivity
42.55
TPSA
34.14
LogP / Solubility
WLOGP
0.51
MLOGP
0.45
XLogP3
0.2
Consensus LogP
0.39
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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