CAS RN: 175204-84-9
4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID HYDRAZIDE
- Product code: SSC-076852
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
175204-84-9 / 4-(trifluoromethyl)pyridine-3-carbohydrazide
Basic Information
CAS
175204-84-9
Multi CAS
No
Molecular Formula
C7H6F3N3O
Molecular Weight
205.140000
Exact Mass
205.046296
SMILES
C1=CN=CC(=C1C(F)(F)F)C(=O)NN
InChI
InChI=1S/C7H6F3N3O/c8-7(9,10)5-1-2-12-3-4(5)6(14)13-11/h1-3H,11H2,(H,13,14)
InChIKey
FWQRJTGWIXTZST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.89
TPSA
68.01
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
0.3
Consensus LogP
0.54
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.47
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
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![CAS 175204-95-2 8-CHLORO-3-(4-TRIFLUOROMETHYLPHENYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175204-95-2.gif)
