![CAS 36176-90-6 N-[(4-Bromophenyl)methylene]-4-methylbenzenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36176-90-6.gif)
CAS RN: 36176-90-6
N-[(4-Bromophenyl)methylene]-4-methylbenzenesulfonamide
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.20251111 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36176-90-6
- Purity/Analytical Methods: >99.0%
36176-90-6 / N-[(4-bromophenyl)methylidene]-4-methylbenzenesulfonamide
Basic Information
CAS
36176-90-6
Multi CAS
Yes
Molecular Formula
BC14H12O2RnS
Molecular Weight
338.220000
Exact Mass
336.977210
InChI
InChI=1S/C14H12BrNO2S/c1-11-2-8-14(9-3-11)19(17,18)16-10-12-4-6-13(15)7-5-12/h2-10H,1H3
InChIKey
PQUIUBJMRRZMDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
80.1
TPSA
46.5
LogP / Solubility
WLOGP
3.57
MLOGP
3.15
XLogP3
3.8
Consensus LogP
3.51
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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