![CAS 883031-03-6 2-Methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883031-03-6.gif)
CAS RN: 883031-03-6
2-Methyl-1-[3-(4-morpholinyl)propyl]-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250627 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS883031-03-6
- Purity/Analytical Methods: >99.0%
883031-03-6 / 2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
Basic Information
CAS
883031-03-6
Multi CAS
No
Molecular Formula
C26F3H28N3O2
Molecular Weight
471.500000
Exact Mass
471.213362
InChI
InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)
InChIKey
NCZYSQOTAYFTNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
125.88
TPSA
46.5
LogP / Solubility
WLOGP
5.46
MLOGP
4.83
XLogP3
4.4
Consensus LogP
4.9
Log S (ESOL)
-6.11
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
S14161
- CAS RN: 883046-50-2
- Product Code: starshine_CAS883046-50-2
- Purity/Analytical method: >99.0%
-
-
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one
- CAS RN: 883065-90-5
- Product Code: SSC-198873
-
-
4-(4-AMINO-PHENYLCARBAMOYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 883106-62-5
- Product Code: SSC-198875
-
N-[2-(4-HYDROXYPHENYL)ETHYL]-METHANESULFONAMIDE
- CAS RN: 883107-35-5
- Product Code: starshine_CAS883107-35-5
- Purity/Analytical method: >99.0%
![CAS 883065-90-5 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883065-90-5.gif)
![CAS 883107-35-5 N-[2-(4-HYDROXYPHENYL)ETHYL]-METHANESULFONAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883107-35-5.gif)