CAS RN: 849532-31-6
4-Bromo-N,N,3-trimethylbenzenesulphonamide
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.20250517 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS849532-31-6
- Purity/Analytical Methods: >99.0%
849532-31-6 / 4-bromo-N,N,3-trimethylbenzenesulfonamide
Basic Information
CAS
849532-31-6
Multi CAS
No
Molecular Formula
BC9H12O2RnS
Molecular Weight
278.170000
Exact Mass
276.977210
InChI
InChI=1S/C9H12BrNO2S/c1-7-6-8(4-5-9(7)10)14(12,13)11(2)3/h4-6H,1-3H3
InChIKey
IWCXIBTWBKTRRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.75
TPSA
37.38
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.99
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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