CAS RN: 52373-51-0
N-(4-(pyrrolidin-1-yl)phenyl)acetamide
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.20251105 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS52373-51-0
- Purity/Analytical Methods: >99.0%
52373-51-0 / N-(4-pyrrolidin-1-ylphenyl)acetamide
Basic Information
CAS
52373-51-0
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c1-10(15)13-11-4-6-12(7-5-11)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKey
ATKVNSUOTPRKKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.19
TPSA
32.34
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 52374-25-1
- Product Code: starshine_CAS52374-25-1
- Purity/Analytical method: >99.0%
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