CAS RN: 849898-48-2
5-Bromo-2-chloro-N-isopropylbenzamide
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.20250305 | 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS849898-48-2
- Purity/Analytical Methods: >99.0%
849898-48-2 / 5-bromo-2-chloro-N-propan-2-ylbenzamide
Basic Information
CAS
849898-48-2
Multi CAS
Yes
Molecular Formula
C10H11BRCLNO
Molecular Weight
276.560000
Exact Mass
274.971250
InChI
InChI=1S/C10H11BrClNO/c1-6(2)13-10(14)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3,(H,13,14)
InChIKey
DBQZPGFQOYCJGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.75
TPSA
29.1
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly 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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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