CAS RN: 1177558-45-0
3-broMo-5-MethoxybenzaMide
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.20260306 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1177558-45-0
- Purity/Analytical Methods: >99.0%
1177558-45-0 / 3-bromo-5-methoxybenzamide
3-Bromo-5-methoxybenzamide | MFCD18391871 | 3-Bromo-5-methoxy-benzamide
Basic Information
CAS
1177558-45-0
Multi CAS
No
Molecular Formula
C8H8BrNO2
Molecular Weight
230.060000
Exact Mass
228.973840
SMILES
COC1=CC(=CC(=C1)C(=O)N)Br
InChI
InChI=1S/C8H8BrNO2/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H2,10,11)
InChIKey
BCLZHRBOXZTZIO-UHFFFAOYSA-N
Synonyms
3-Bromo-5-methoxybenzamide
MFCD18391871
3-Bromo-5-methoxy-benzamide
3-bromo-5-(methyloxy)benzamide
SCHEMBL1362735
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.21
TPSA
52.32
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
2.3
Consensus LogP
1.74
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-3.02
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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