CAS RN: 497059-96-8
N-(2,4-DIFLUOROPHENYL)-4,4-DIMETHYL-3-OXOPENTANAMIDE
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.20250901 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS497059-96-8
- Purity/Analytical Methods: >99.0%
497059-96-8 / N-(2,4-difluorophenyl)-4,4-dimethyl-3-oxopentanamide
Basic Information
CAS
497059-96-8
Multi CAS
No
Molecular Formula
C13F2H15NO2
Molecular Weight
255.260000
Exact Mass
255.107085
InChI
InChI=1S/C13H15F2NO2/c1-13(2,3)11(17)7-12(18)16-10-5-4-8(14)6-9(10)15/h4-6H,7H2,1-3H3,(H,16,18)
InChIKey
LMJIDHIDRAZOME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.07
TPSA
46.17
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
3.2
Consensus LogP
2.89
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-((4-METHYLPHENYL)SULFONYL)-N-(((2-THIENYLCARBONYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE
- CAS RN: 497060-30-7
- Product Code: starshine_CAS497060-30-7
- Purity/Analytical method: >99.0%
-
2-(2-(N-(4-(ISOPROPYL)PHENYL)CARBAMOYL)PHENYL)ACETIC ACID
- CAS RN: 497060-62-5
- Product Code: starshine_CAS497060-62-5
- Purity/Analytical method: >99.0%
-
3-amino-N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
- CAS RN: 497061-48-0
- Product Code: starshine_CAS497061-48-0
- Purity/Analytical method: >99.0%
-
Bicyclo[2.1.1]hexane-1-methanol, 4-bromo- (9CI)
- CAS RN: 497074-22-3
- Product Code: SSC-155978
-
3-Thiazolidineacetic acid, -alpha–methyl-2,4-dioxo-
- CAS RN: 497076-92-3
- Product Code: starshine_CAS497076-92-3
- Purity/Analytical method: >99.0%
-
![CAS 497061-48-0 3-amino-N-(2-bromo-4,6-difluorophenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497061-48-0.gif)
![CAS 497074-22-3 Bicyclo[2.1.1]hexane-1-methanol, 4-bromo- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497074-22-3.gif)
