CAS RN: 950163-13-0
3-Bromo-N-cyclopropyl-N-(4-methoxybenzyl)benzenesulfonamide
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.20260407 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS950163-13-0
- Purity/Analytical Methods: >99.0%
950163-13-0 / 3-bromo-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
Basic Information
CAS
950163-13-0
Multi CAS
No
Molecular Formula
BC17H18O3RnS
Molecular Weight
396.300000
Exact Mass
395.019080
InChI
InChI=1S/C17H18BrNO3S/c1-22-16-9-5-13(6-10-16)12-19(15-7-8-15)23(20,21)17-4-2-3-14(18)11-17/h2-6,9-11,15H,7-8,12H2,1H3
InChIKey
AWTORWDIMWSGAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
92.89
TPSA
46.61
LogP / Solubility
WLOGP
3.81
MLOGP
3.38
XLogP3
3.8
Consensus LogP
3.66
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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