![CAS 306936-65-2 3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/306936-65-2(2).gif)
CAS RN: 306936-65-2
3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBALDEHYDE
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.20251017 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS306936-65-2
- Purity/Analytical Methods: >99.0%
306936-65-2 / 5-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
Basic Information
CAS
306936-65-2
Multi CAS
Yes
Molecular Formula
C11F3H7N2O
Molecular Weight
240.180000
Exact Mass
240.051047
InChI
InChI=1S/C11H7F3N2O/c12-11(13,14)9-3-1-7(2-4-9)10-8(6-17)5-15-16-10/h1-6H,(H,15,16)
InChIKey
PMKPJAJMBQBTKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.41
TPSA
45.75
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.2
Consensus LogP
2.56
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methoxy- (9CI)
- CAS RN: 306937-12-2
- Product Code: SSC-135596
-
tert-Butyl N-(4-bromo-2-methylphenyl)carbamate
- CAS RN: 306937-14-4
- Product Code: SSC-135597
-
Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI)
- CAS RN: 306937-20-2
- Product Code: SSC-135598
-
ETHYL 1-(3-AMINOBENZYL)PIPERIDINE-4-CARBOXYLATE
- CAS RN: 306937-22-4
- Product Code: SSC-135599
-
3-CHLORO-5-FLUORO-2-METHYLBENZENE SULFONYL CHLORIDE
- CAS RN: 306937-30-4
- Product Code: SSC-135600
.gif)
![CAS 306937-12-2 Benzoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methoxy- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/306937-12-2(2).gif)
.gif)
![CAS 306937-20-2 Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/306937-20-2(2).gif)
.gif)
.gif)