CAS RN: 123158-67-8
N-(3-BroMo-5-ethylphenyl)acetaMide
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.20251213 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS123158-67-8
- Purity/Analytical Methods: >99.0%
123158-67-8 / N-(3-bromo-5-ethylphenyl)acetamide
Basic Information
CAS
123158-67-8
Multi CAS
No
Molecular Formula
C10H12BrNO
Molecular Weight
242.110000
Exact Mass
241.010230
SMILES
CCC1=CC(=CC(=C1)Br)NC(=O)C
InChI
InChI=1S/C10H12BrNO/c1-3-8-4-9(11)6-10(5-8)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
PDRWHNPTNJWXLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.82
TPSA
29.1
LogP / Solubility
WLOGP
2.97
MLOGP
2.62
XLogP3
2.6
Consensus LogP
2.73
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.09
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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