CAS RN: 1261516-26-0
2-bromo-4-iodobenzamide
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS1261516-26-0
- Purity/Analytical Methods: >99.0%
1261516-26-0 / 2-bromo-4-iodobenzamide
Basic Information
CAS
1261516-26-0
Multi CAS
No
Molecular Formula
C7H5BrINO
Molecular Weight
325.930000
Exact Mass
324.859920
SMILES
C1=CC(=C(C=C1I)Br)C(=O)N
InChI
InChI=1S/C7H5BrINO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)
InChIKey
ORXZIYFNBWBQCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.38
TPSA
43.09
LogP / Solubility
WLOGP
2.15
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
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
-
-
2-Chloro-1-(difluoromethoxy)-3-nitro-benzene
- CAS RN: 1261523-28-7
- Product Code: SSC-032590
-
-
-
ethyl 2-(2,6-dichloropyrimidin-4-yl)acetate
- CAS RN: 1261542-34-0
- Product Code: SSC-032600
-
2-chloro-3′-(trifluoromethyl)biphenyl-3-amine
- CAS RN: 1261547-75-4
- Product Code: starshine_CAS1261547-75-4
- Purity/Analytical method: >99.0%
