CAS RN: 457957-86-7
N-(3,5-Dibromopyridin-2-yl)formamide
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.20251011 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN892039
457957-86-7 / N-(3,5-dibromo-2-pyridinyl)formamide
Basic Information
CAS
457957-86-7
Multi CAS
Yes
Molecular Formula
C6H4BR2N2O
Molecular Weight
279.920000
Exact Mass
279.866990
InChI
InChI=1S/C6H4Br2N2O/c7-4-1-5(8)6(9-2-4)10-3-11/h1-3H,(H,9,10,11)
InChIKey
LSZRUKFNQFKWJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.32
TPSA
41.99
LogP / Solubility
WLOGP
2.17
MLOGP
1.92
XLogP3
1.8
Consensus LogP
1.96
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
N-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
- CAS RN: 13417-01-1
- Product Code: LINN905339
-
N-[3-Amino-2-methoxy-5-(2-methyl-2-propanyl)phenyl]methanesulfonamide
- CAS RN: 404010-35-1
- Product Code: LINN929465
-
N-(3-aminopropyl)-N-ethyl-4-methylbenzenesulfonamide
- CAS RN: 21230-00-2
- Product Code: LINN927208
-
N-(3-cyano-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl)-4-fluorobenzamide
- CAS RN: 304644-92-6
- Product Code: LINN916420
-
-
![CAS 404010-35-1 N-[3-Amino-2-methoxy-5-(2-methyl-2-propanyl)phenyl]methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/404010-35-1.png)
![CAS 304644-92-6 N-(3-cyano-1-pentyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl)-4-fluorobenzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/74070500.png)
