CAS RN: 131002-01-2
2-Bromo-4-chlorobenzamide
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.20251220 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS131002-01-2
- Purity/Analytical Methods: >99.0%
131002-01-2 / 2-bromo-4-chlorobenzamide
Basic Information
CAS
131002-01-2
Multi CAS
No
Molecular Formula
C7H5BrClNO
Molecular Weight
234.480000
Exact Mass
232.924300
SMILES
C1=CC(=C(C=C1Cl)Br)C(=O)N
InChI
InChI=1S/C7H5BrClNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)
InChIKey
HAVNOBBLFYXBDL-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
47.67
TPSA
43.09
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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