![CAS 501948-05-6 3-[(4-Cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-alpha-oxo-1-indolizineacetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/501948-05-6.gif)
CAS RN: 501948-05-6
3-[(4-Cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-alpha-oxo-1-indolizineacetamide
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.20250605 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS501948-05-6
- Purity/Analytical Methods: >99.0%
501948-05-6 / 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
Basic Information
CAS
501948-05-6
Multi CAS
No
Molecular Formula
C22H16N4O2S
Molecular Weight
400.500000
Exact Mass
400.099397
InChI
InChI=1S/C22H16N4O2S/c1-14-10-20(29-25-14)24-22(28)21(27)18-12-17(26-9-3-2-4-19(18)26)11-15-5-7-16(13-23)8-6-15/h2-10,12H,11H2,1H3,(H,24,28)
InChIKey
IZZYUABKZYIINT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
111.17
TPSA
87.26
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
4.7
Consensus LogP
4.07
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
5-[[3-Dimethylamino)propyl]amino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dionedihydrochloride
- CAS RN: 502137-98-6
- Product Code: SSC-156631
-
-
(2-Chloro-6-methyl-pyrimidin-4-yl)-ethyl-amine
- CAS RN: 502141-81-3
- Product Code: SSC-156633
![CAS 502137-98-6 5-[[3-Dimethylamino)propyl]amino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dionedihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/502137-98-6.gif)
![CAS 502141-03-9 5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/502141-03-9.gif)
