CAS RN: 785777-94-8
4,5-Dibromo-6-(trifluoromethyl)pyrimidine
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.20250708 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS785777-94-8
- Purity/Analytical Methods: >99.0%
785777-94-8 / 4,5-dibromo-6-(trifluoromethyl)pyrimidine
Basic Information
CAS
785777-94-8
Multi CAS
No
Molecular Formula
C5HBR2F3N2
Molecular Weight
305.880000
Exact Mass
305.843810
InChI
InChI=1S/C5HBr2F3N2/c6-2-3(5(8,9)10)11-1-12-4(2)7/h1H
InChIKey
NLCUCCQCFKEKSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
42.43
TPSA
25.78
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-Chloro-5-iodo-4-(trifluoromethyl)pyrimidine
- CAS RN: 785777-99-3
- Product Code: SSC-187950
-
8-BENZYL-1,2,8-TRIAZASPIRO[4.5]DECAN-3-ONE
- CAS RN: 785782-25-4
- Product Code: starshine_CAS785782-25-4
- Purity/Analytical method: >99.0%
-
Imidazo[1,2-a]pyridine, 2,3-dihydro-2-phenyl-6-(trifluoromethyl)-, (2R)-
- CAS RN: 785784-11-4
- Product Code: SSC-187951
-
-
JDTic (2HCl)
- CAS RN: 785835-79-2
- Product Code: starshine_CAS785835-79-2
- Purity/Analytical method: >99.0%
![CAS 785782-25-4 8-BENZYL-1,2,8-TRIAZASPIRO[4.5]DECAN-3-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB6828804.gif)
![CAS 785784-11-4 Imidazo[1,2-a]pyridine, 2,3-dihydro-2-phenyl-6-(trifluoromethyl)-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/785784-11-4.gif)
