![CAS 714971-87-6 9H-Xanthene-9-carboxamide, N-[4-(trifluoromethyl)-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/714971-87-6.gif)
CAS RN: 714971-87-6
9H-Xanthene-9-carboxamide, N-[4-(trifluoromethyl)-2-oxazolyl]-
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.20260606 | 5mg / 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS714971-87-6
- Purity/Analytical Methods: >99.0%
714971-87-6 / N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide
Basic Information
CAS
714971-87-6
Multi CAS
No
Molecular Formula
C18F3H11N2O3
Molecular Weight
360.300000
Exact Mass
360.072177
InChI
InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
InChIKey
GSGDLBUOSWGZER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.94
TPSA
64.36
LogP / Solubility
WLOGP
4.57
MLOGP
4.04
XLogP3
3.7
Consensus LogP
4.1
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
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)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
5-Pyrimidinecarboxylicacid,4-amino-,methylester(9CI)
- CAS RN: 714975-53-8
- Product Code: SSC-181096
-
-
1H-Imidazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester
- CAS RN: 716316-20-0
- Product Code: SSC-181198
-
-
