CAS RN: 1439400-46-0
N-(6-chloropyridazin-3-yl)-2-(3-(trifluoromethoxy)phenyl)acetamide
- Product code: SSC-055203
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 |
1439400-46-0 / N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethoxy)phenyl]acetamide
Basic Information
CAS
1439400-46-0
Multi CAS
No
Molecular Formula
C13H9ClF3N3O2
Molecular Weight
331.680000
Exact Mass
331.033539
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)CC(=O)NC2=NN=C(C=C2)Cl
InChI
InChI=1S/C13H9ClF3N3O2/c14-10-4-5-11(20-19-10)18-12(21)7-8-2-1-3-9(6-8)22-13(15,16)17/h1-6H,7H2,(H,18,20,21)
InChIKey
HGVJIWCBWBCKGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.5
TPSA
64.11
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
3.1
Consensus LogP
3.05
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1439556-82-7 (-)-1,13-Bis(diphenyl)phosphino-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano [3,2-d]xanthene molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(-)-1,13-Bis(diphenyl)phosphino-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano [3,2-d]xanthene
- CAS RN: 1439556-82-7
- Product Code: SSC-055209
-
1-(4-Ethynylphenyl)sulfonylpiperazine hydrochloride
- CAS RN: 1439818-89-9
- Product Code: SSC-055218
-
Tert-butyl 4-(2,6-dichloropyriMidin-4-yl)piperidine-1-carboxylate
- CAS RN: 1439823-01-4
- Product Code: SSC-055222
-
N-Ethyl-N-(tetrahydrofuran-3-yl)piperidin-4-aMine dihydrochloride
- CAS RN: 1439823-16-1
- Product Code: SSC-055223
-
Tert-butyl 4-chloro-2-Morpholino-5H-pyrrolo[2,3-d]pyriMidine-7(6H)-carboxylate
- CAS RN: 1439823-58-1
- Product Code: starshine_CAS1439823-58-1
- Purity/Analytical method: >99.0%
-
![CAS 1439556-82-7 (-)-1,13-Bis(diphenyl)phosphino-(5aS,8aS,14aS)-5a,6,7,8,8a,9-hexahydro-5H-[1]benzopyrano [3,2-d]xanthene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439556-82-7.gif)
![CAS 1439823-58-1 Tert-butyl 4-chloro-2-Morpholino-5H-pyrrolo[2,3-d]pyriMidine-7(6H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439823-58-1.gif)
![CAS 1439824-01-7 4-Chlorothiazolo[5,4-c]pyridin-2-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1439824-01-7.gif)