CAS RN: 65000-12-6
2-Bromo-N,N-diethylbenzenesulphonamide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS65000-12-6
- Purity/Analytical Methods: >99.0%
65000-12-6 / 2-bromo-N,N-diethylbenzenesulfonamide
Basic Information
CAS
65000-12-6
Multi CAS
No
Molecular Formula
BC10H14O2RnS
Molecular Weight
292.190000
Exact Mass
290.992860
InChI
InChI=1S/C10H14BrNO2S/c1-3-12(4-2)15(13,14)10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKey
WKVJAILVGFQCTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
64.25
TPSA
37.38
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-2.74
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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