CAS RN: 262609-07-4
DIETHYL 2,4,6-TRIFLUOROPHENYL MALONATE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS262609-07-4
- Purity/Analytical Methods: >99.0%
262609-07-4 / diethyl 2-(2,4,6-trifluorophenyl)propanedioate
Basic Information
CAS
262609-07-4
Multi CAS
Yes
Molecular Formula
C13H13F3O4
Molecular Weight
290.230000
Exact Mass
290.076593
InChI
InChI=1S/C13H13F3O4/c1-3-19-12(17)11(13(18)20-4-2)10-8(15)5-7(14)6-9(10)16/h5-6,11H,3-4H2,1-2H3
InChIKey
VCCISIBKCNTCLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
62.32
TPSA
52.6
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.9
Consensus LogP
2.42
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
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
1.5
Customers Also Viewed
-
![CAS 262851-99-0 Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-fluoro-, methyl ester (9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-fluoro-, methyl ester (9CI)
- CAS RN: 262851-99-0
- Product Code: SSC-123624
-
Ethanone, 1-(3-fluorobicyclo[1.1.1]pent-1-yl)- (9CI)
- CAS RN: 262852-00-6
- Product Code: starshine_CAS262852-00-6
- Purity/Analytical method: >99.0%
-
-
3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-aminehydrochloride
- CAS RN: 262852-11-9
- Product Code: SSC-123626
-
1(2H)-Quinolinecarbothioamide,3,4-dihydro-(9CI)
- CAS RN: 262853-30-5
- Product Code: SSC-123627
-
(R)-4-(4-AMinobenzyl)oxazolidin-2-one
- CAS RN: 262857-90-9
- Product Code: starshine_CAS262857-90-9
- Purity/Analytical method: >99.0%
![CAS 262851-99-0 Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-fluoro-, methyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262851-99-0.gif)
![CAS 262852-00-6 Ethanone, 1-(3-fluorobicyclo[1.1.1]pent-1-yl)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262852-00-6.gif)
![CAS 262852-01-7 (3-Fluorobicyclo[1.1.1]pentan-1-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262852-01-7.gif)
![CAS 262852-11-9 3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-aminehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262852-11-9.gif)
