CAS RN: 1228957-03-6
4-Bromo-2-methoxy-N-methylbenzamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1228957-03-6
- Purity/Analytical Methods: >99.0%
1228957-03-6 / 4-bromo-2-methoxy-N-methylbenzamide
Basic Information
CAS
1228957-03-6
Multi CAS
No
Molecular Formula
C9H10BrNO2
Molecular Weight
244.080000
Exact Mass
242.989490
SMILES
CNC(=O)C1=C(C=C(C=C1)Br)OC
InChI
InChI=1S/C9H10BrNO2/c1-11-9(12)7-4-3-6(10)5-8(7)13-2/h3-5H,1-2H3,(H,11,12)
InChIKey
WSFZLAMDGLDHRO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.08
TPSA
38.33
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
2.4
Consensus LogP
1.94
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
MLN0905
- CAS RN: 1228960-69-7
- Product Code: starshine_CAS1228960-69-7
- Purity/Analytical method: >99.0%
-
4,4-((2-Methyl-2-((pyridin-4-yloxy)methyl)propane-1,3-diyl)bis(oxy))dipyridine
- CAS RN: 1228960-86-8
- Product Code: starshine_CAS1228960-86-8
- Purity/Analytical method: >99.0%
-
tert-butyl 3,3-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
- CAS RN: 1228962-22-8
- Product Code: SSC-026583
-
-
