CAS RN: 1136466-93-7
IDE 2
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.20251224 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1136466-93-7
- Purity/Analytical Methods: >99.0%
1136466-93-7 / 7-(2-cyclopentylidenehydrazinyl)-7-oxoheptanoic acid
IDE 2 | IDE2 | IDE-2
Basic Information
CAS
1136466-93-7
Multi CAS
No
Molecular Formula
C12H20N2O3
Molecular Weight
240.300000
Exact Mass
240.147393
SMILES
C1CCC(=NNC(=O)CCCCCC(=O)O)C1
InChI
InChI=1S/C12H20N2O3/c15-11(8-2-1-3-9-12(16)17)14-13-10-6-4-5-7-10/h1-9H2,(H,14,15)(H,16,17)
InChIKey
CVYPYYPTFNVREL-UHFFFAOYSA-N
Synonyms
IDE 2
IDE2
IDE-2
7-(2-cyclopentylidenehydrazinyl)-7-oxoheptanoic acid
6-(N'-CYCLOPENTYLIDENEHYDRAZINECARBONYL)HEXANOIC ACID
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.77
TPSA
78.76
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
0.9
Consensus LogP
1.6
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-2.72
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
1.5
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