![CAS 869222-68-4 (E)-5-[3-(TRIFLUOROACETAMIDO)-1-PROPENYL]URIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869222-68-4.gif)
CAS RN: 869222-68-4
(E)-5-[3-(TRIFLUOROACETAMIDO)-1-PROPENYL]URIDINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS869222-68-4
- Purity/Analytical Methods: >99.0%
869222-68-4 / N-[3-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enyl]-2,2,2-trifluoroacetamide
Basic Information
CAS
869222-68-4
Multi CAS
Yes
Molecular Formula
C14F3H16N3O7
Molecular Weight
395.290000
Exact Mass
395.094034
InChI
InChI=1S/C14H16F3N3O7/c15-14(16,17)12(25)18-3-1-2-6-4-20(13(26)19-10(6)24)11-9(23)8(22)7(5-21)27-11/h1-2,4,7-9,11,21-23H,3,5H2,(H,18,25)(H,19,24,26)/b2-1+/t7-,8-,9-,11-/m1/s1
InChIKey
DMXZSDJKAIYXMV-TVIFIVJDSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
5
Molar refractivity
82.43
TPSA
153.88
LogP / Solubility
WLOGP
-2.16
MLOGP
-1.88
XLogP3
-1.1
Consensus LogP
-1.71
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
-
MIL-101(Cr)
- CAS RN: 869288-09-5
- Product Code: starshine_CAS869288-09-5
- Purity/Analytical method: >99.0%
-
-
tert-butyl N-[(4,4-dimethylpyrrolidin-3-yl)methyl]carbamate
- CAS RN: 869292-47-7
- Product Code: SSC-196255
-
[2-(tetrahydro-2h-pyran-4-yloxy)pyridin-4-yl]methylamine
- CAS RN: 869293-80-1
- Product Code: SSC-196258
![CAS 869292-47-7 tert-butyl N-[(4,4-dimethylpyrrolidin-3-yl)methyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869292-47-7.gif)
![CAS 869293-80-1 [2-(tetrahydro-2h-pyran-4-yloxy)pyridin-4-yl]methylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB11508270.gif)