CAS RN: 871878-59-0
N-(4-bromo-5-methoxy-2-methylphenyl)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.20250923 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS871878-59-0
- Purity/Analytical Methods: >99.0%
871878-59-0 / N-(4-bromo-5-methoxy-2-methylphenyl)acetamide
Basic Information
CAS
871878-59-0
Multi CAS
No
Molecular Formula
BC10H12O2Rn
Molecular Weight
258.110000
Exact Mass
257.005140
InChI
InChI=1S/C10H12BrNO2/c1-6-4-8(11)10(14-3)5-9(6)12-7(2)13/h4-5H,1-3H3,(H,12,13)
InChIKey
IFEYCXFJRLYXIG-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
2
H-bond donors
1
Molar refractivity
59.73
TPSA
38.33
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
2.1
Consensus LogP
2.41
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.36
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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