CAS RN: 20458-52-0
1-DECYL-PYRROLE-2,5-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.20251208 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS20458-52-0
- Purity/Analytical Methods: >99.0%
20458-52-0 / 1-decylpyrrole-2,5-dione
Basic Information
CAS
20458-52-0
Multi CAS
No
Molecular Formula
C14H23NO2
Molecular Weight
237.340000
Exact Mass
237.172879
SMILES
CCCCCCCCCCN1C(=O)C=CC1=O
InChI
InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-15-13(16)10-11-14(15)17/h10-11H,2-9,12H2,1H3
InChIKey
PZQWVKKXPIZFHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
68.47
TPSA
37.38
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
4.9
Consensus LogP
3.55
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.82
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)
-2
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
Customers Also Viewed
-
Epitaraxerol
- CAS RN: 20460-33-7
- Product Code: starshine_CAS20460-33-7
- Purity/Analytical method: >99.0%
-
-
-
-
D-2-AMINO-5-PHENYL-PENTANOIC ACID
- CAS RN: 2046-19-7
- Product Code: starshine_CAS2046-19-7
- Purity/Analytical method: >99.0%
-
