CAS RN: 452967-14-5
IR-415)
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.20250305 | 25mg / 100mg | Out of stock | 30 business days | Inquiry |
- Product code: SSC-153060
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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
452967-14-5 / 1-(2,4-difluorophenyl)-3-(3-imidazol-1-ylpropyl)thiourea
Basic Information
CAS
452967-14-5
Multi CAS
No
Molecular Formula
C13F2H14N4S
Molecular Weight
296.340000
Exact Mass
296.090724
InChI
InChI=1S/C13H14F2N4S/c14-10-2-3-12(11(15)8-10)18-13(20)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9H,1,4,6H2,(H2,17,18,20)
InChIKey
KRSBPLFMLHNMPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.43
TPSA
41.88
LogP / Solubility
WLOGP
2.54
MLOGP
2.25
XLogP3
1.8
Consensus LogP
2.2
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 452967-40-7 6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
- CAS RN: 452967-40-7
- Product Code: SSC-153061
-
6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
- CAS RN: 452967-47-4
- Product Code: SSC-153062
-
Imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride
- CAS RN: 452967-56-5
- Product Code: starshine_CAS452967-56-5
- Purity/Analytical method: >99.0%
-
-
2-CHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE
- CAS RN: 452972-11-1
- Product Code: SSC-153065
-
3-BROMO-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE
- CAS RN: 452972-13-3
- Product Code: SSC-153067
![CAS 452967-40-7 6-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-40-7.gif)
![CAS 452967-47-4 6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-47-4.gif)
![CAS 452967-56-5 Imidazo[1,2-a]pyridin-2-yl-methylamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452967-56-5.gif)
![CAS 452972-11-1 2-CHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452972-11-1.gif)
![CAS 452972-13-3 3-BROMO-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/452972-13-3.gif)