CAS RN: 209971-49-3
2,2,2-Trifluoro-N-(6-iodo…
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-099842
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 | Beijing | Inquiry |
209971-49-3 / 2,2,2-trifluoro-N-(6-iodoimidazo[1,2-a]pyridin-2-yl)acetamide
Basic Information
CAS
209971-49-3
Multi CAS
No
Molecular Formula
C9H5F3IN3O
Molecular Weight
355.050000
Exact Mass
354.942940
SMILES
C1=CC2=NC(=CN2C=C1I)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H5F3IN3O/c10-9(11,12)8(17)15-6-4-16-3-5(13)1-2-7(16)14-6/h1-4H,(H,15,17)
InChIKey
BEXBGVODFKVSFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.59
TPSA
46.4
LogP / Solubility
WLOGP
2.44
MLOGP
2.17
XLogP3
3
Consensus LogP
2.54
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.11
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)
-3.15
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
-
-
N,N’-Bis[4-(1-naphthalenylphenylamino)phenyl]-N,N’-diphenyl-[1,1′-biphenyl]-4,4′-diamine
- CAS RN: 209980-47-2
- Product Code: starshine_CAS209980-47-2
- Purity/Analytical method: >99.0%
-
Benzeneacetic acid, 3,5-difluoro-α-hydroxy-, (αS)-
- CAS RN: 209982-91-2
- Product Code: SSC-099849
-
(S)-3,5-DifluoroMandelic acid
- CAS RN: 209982-92-3
- Product Code: starshine_CAS209982-92-3
- Purity/Analytical method: >99.0%
-
6H-DIBENZ[B,D]AZEPIN-6-ONE, 5,7-DIHYDRO-5-METHYL-
- CAS RN: 209984-30-5
- Product Code: SSC-099851
-
5-Methyl-5H-dibenz[b,d]azepine-6,7-dione 7-Oxime
- CAS RN: 209984-31-6
- Product Code: starshine_CAS209984-31-6
- Purity/Analytical method: >99.0%
![CAS 209980-47-2 N,N’-Bis[4-(1-naphthalenylphenylamino)phenyl]-N,N’-diphenyl-[1,1′-biphenyl]-4,4′-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209980-47-2.gif)
![CAS 209984-30-5 6H-DIBENZ[B,D]AZEPIN-6-ONE, 5,7-DIHYDRO-5-METHYL- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209984-30-5.gif)
![CAS 209984-31-6 5-Methyl-5H-dibenz[b,d]azepine-6,7-dione 7-Oxime molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209984-31-6.gif)