CAS RN: 951883-96-8
N-Hexyl 2-bromobenzenesulfonamide
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.20260115 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS951883-96-8
- Purity/Analytical Methods: >99.0%
951883-96-8 / 2-bromo-N-hexylbenzenesulfonamide
Basic Information
CAS
951883-96-8
Multi CAS
No
Molecular Formula
BC12H18O2RnS
Molecular Weight
320.250000
Exact Mass
319.024160
InChI
InChI=1S/C12H18BrNO2S/c1-2-3-4-7-10-14-17(15,16)12-9-6-5-8-11(12)13/h5-6,8-9,14H,2-4,7,10H2,1H3
InChIKey
MSEDPVQAXSZIKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.47
TPSA
46.17
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
3.9
Consensus LogP
3.38
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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