![CAS 1997306-76-9 Pyridine, 2-[(4S,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-5-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1997306-76-9.gif)
CAS RN: 1997306-76-9
Pyridine, 2-[(4S,5R)-4,5-dihydro-4,5-diphenyl-2-oxazolyl]-5-(trifluoromethyl)-
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS1997306-76-9
- Purity/Analytical Methods: >99.0%
1997306-76-9 / (4S,5R)-4,5-diphenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1997306-76-9
Multi CAS
No
Molecular Formula
C21H15F3N2O
Molecular Weight
368.400000
Exact Mass
368.113648
SMILES
C1=CC=C(C=C1)[C@H]2[C@H](OC(=N2)C3=NC=C(C=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C21H15F3N2O/c22-21(23,24)16-11-12-17(25-13-16)20-26-18(14-7-3-1-4-8-14)19(27-20)15-9-5-2-6-10-15/h1-13,18-19H/t18-,19+/m0/s1
InChIKey
QFLUMJQUCAPCRJ-RBUKOAKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
95.23
TPSA
34.48
LogP / Solubility
WLOGP
5.36
MLOGP
4.74
XLogP3
4.8
Consensus LogP
4.97
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
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)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
(4S,5S)-4,5-Diphenyl-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole
- CAS RN: 1997306-77-0
- Product Code: SSC-094006
-
1-Piperazinecarboxylic acid, 4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-, 1,1-dimethylethyl ester
- CAS RN: 1997319-84-2
- Product Code: SSC-094008
-
2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
- CAS RN: 1997319-92-2
- Product Code: starshine_CAS1997319-92-2
- Purity/Analytical method: >99.0%
-
Canagliflozin D4
- CAS RN: 1997338-61-0
- Product Code: starshine_CAS1997338-61-0
- Purity/Analytical method: >99.0%
-
1-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl)-3-((S)-1-(thiophen-3-yl)propan-2-yl)urea
- CAS RN: 1997387-43-5
- Product Code: SSC-094012
-
![CAS 1997319-84-2 1-Piperazinecarboxylic acid, 4-[3-amino-6-(2-hydroxyphenyl)-4-pyridazinyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1997319-84-2.gif)
