.gif)
CAS RN: 1446002-35-2
5-broMo-3-fluoro-2-(Methylsulfonyl)pyridine
- Product code: SSC-055817
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1446002-35-2 / 5-bromo-3-fluoro-2-methylsulfonylpyridine
Basic Information
CAS
1446002-35-2
Multi CAS
No
Molecular Formula
C6H5BrFNO2S
Molecular Weight
254.080000
Exact Mass
252.920840
SMILES
CS(=O)(=O)C1=C(C=C(C=N1)Br)F
InChI
InChI=1S/C6H5BrFNO2S/c1-12(10,11)6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
WWDRCENTMVWGSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45
TPSA
47.03
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately 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)
-3.29
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 1446012-48-1 Tert-Butyl 6-(Hydroxymethyl)-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446012-48-1.gif)
Tert-Butyl 6-(Hydroxymethyl)-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate
- CAS RN: 1446012-48-1
- Product Code: SSC-055819
-
-
![CAS 1446021-66-4 tert-butyl (3aR,5s,6aS)-5-(methylamino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446021-66-4.gif)
tert-butyl (3aR,5s,6aS)-5-(methylamino)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
- CAS RN: 1446021-66-4
- Product Code: starshine_CAS1446021-66-4
- Purity/Analytical method: >99.0%
-
1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,4-dihydro-4-oxo-, ethyl ester
- CAS RN: 1446022-58-7
- Product Code: starshine_CAS1446022-58-7
- Purity/Analytical method: >99.0%
-
![CAS 1446090-79-4 5-((1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-5-yl)oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446090-79-4.gif)
5-((1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-5-yl)oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
- CAS RN: 1446090-79-4
- Product Code: starshine_CAS1446090-79-4
- Purity/Analytical method: >99.0%
-
![CAS 1446091-43-5 (1S,1aS,6bR)-ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate(WX145557) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446091-43-5.gif)
(1S,1aS,6bR)-ethyl 5-hydroxy-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-carboxylate(WX145557)
- CAS RN: 1446091-43-5
- Product Code: SSC-055821