CAS RN: 2089333-61-7
5-Bromo-2-methoxy-4-(trifluoromethyl)pyrimidine
- Product code: SSC-098300
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 | Shenzhen | Inquiry |
2089333-61-7 / 5-bromo-2-methoxy-4-(trifluoromethyl)pyrimidine
Basic Information
CAS
2089333-61-7
Multi CAS
No
Molecular Formula
C6H4BrF3N2O
Molecular Weight
257.010000
Exact Mass
255.945910
SMILES
COC1=NC=C(C(=N1)C(F)(F)F)Br
InChI
InChI=1S/C6H4BrF3N2O/c1-13-5-11-2-3(7)4(12-5)6(8,9)10/h2H,1H3
InChIKey
RQYYIRGQYAPFOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.29
TPSA
35.01
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.1
Consensus LogP
2.12
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-2.68
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
-
![CAS 2089333-94-6 (1R,5S,8r)-methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate(WXC05364) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(1R,5S,8r)-methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate(WXC05364)
- CAS RN: 2089333-94-6
- Product Code: starshine_CAS2089333-94-6
- Purity/Analytical method: >99.0%
-
1H-Indole-6-carboxylic acid, 7-fluoro-2,3-dihydro-2,3-dioxo-, ethyl ester
- CAS RN: 2089334-07-4
- Product Code: starshine_CAS2089334-07-4
- Purity/Analytical method: >99.0%
-
5-fluoroquinolin-2-amine
- CAS RN: 2089377-24-0
- Product Code: starshine_CAS2089377-24-0
- Purity/Analytical method: >99.0%
-
2-Furancarboxylic acid, tetrahydro-4-oxo-, ethyl ester
- CAS RN: 2089377-51-3
- Product Code: SSC-098310
-
5,7-Dichloro-3-methyl-3H-imidazo[4,5-b]pyridine
- CAS RN: 2089377-92-2
- Product Code: SSC-098314
-
2-Cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride
- CAS RN: 2089380-98-1
- Product Code: starshine_CAS2089380-98-1
- Purity/Analytical method: >99.0%
![CAS 2089333-94-6 (1R,5S,8r)-methyl 3-benzyl-3-azabicyclo[3.2.1]octane-8-carboxylate(WXC05364) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089333-94-6.png)
![CAS 2089377-92-2 5,7-Dichloro-3-methyl-3H-imidazo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089377-92-2.png)
![CAS 2089380-98-1 2-Cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089380-98-1.png)