CAS RN: 1434927-54-4
N-(3-(1H-imidazol-1-yl)propyl)-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250129 | 10mg / 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1434927-54-4
- Purity/Analytical Methods: >99.0%
1434927-54-4 / 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
Basic Information
CAS
1434927-54-4
Multi CAS
No
Molecular Formula
C18H22FN3O
Molecular Weight
315.400000
Exact Mass
315.174691
SMILES
CC1(CC1(C2=CC=C(C=C2)F)C(=O)NCCCN3C=CN=C3)C
InChI
InChI=1S/C18H22FN3O/c1-17(2)12-18(17,14-4-6-15(19)7-5-14)16(23)21-8-3-10-22-11-9-20-13-22/h4-7,9,11,13H,3,8,10,12H2,1-2H3,(H,21,23)
InChIKey
MBTXJGAIMKPLBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.33
TPSA
46.92
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
D-Phenylalanine, N-benzoyl-L-tryptophyl-, methyl ester
- CAS RN: 1435265-06-7
- Product Code: starshine_CAS1435265-06-7
- Purity/Analytical method: >99.0%
-
5-Amino-2,4-dihydroxy-benzoic acid methyl ester
- CAS RN: 1435323-67-3
- Product Code: SSC-054949
-
4,5-Dichloro-1,3-bis(2,6-di(pentan-3-yl)phenyl)-1H-imidazol-3-ium chloride
- CAS RN: 1435347-23-1
- Product Code: SSC-054951
-
[1,3-bis[2,6-bis(1-ethylpropyl)phenyl]-4,5-dichloro-imidazol-2-ylidene]-dichloro-(3-chloropyridin-1-ium-1-yl)palladium
- CAS RN: 1435347-24-2
- Product Code: SSC-054952
-
-
PF-06282999
- CAS RN: 1435467-37-0
- Product Code: starshine_CAS1435467-37-0
- Purity/Analytical method: >99.0%
![CAS 1435347-24-2 [1,3-bis[2,6-bis(1-ethylpropyl)phenyl]-4,5-dichloro-imidazol-2-ylidene]-dichloro-(3-chloropyridin-1-ium-1-yl)palladium molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1435347-24-2.gif)
.gif)
.gif)