![CAS 345892-71-9 BenzenesulfonaMide, 2,6-dichloro-N-[4-chloro-3-[2-(diMethylaMino)ethoxy]phenyl]-4-(trifluoroMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/345892-71-9.gif)
CAS RN: 345892-71-9
BenzenesulfonaMide, 2,6-dichloro-N-[4-chloro-3-[2-(diMethylaMino)ethoxy]phenyl]-4-(trifluoroMethyl)-
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7 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250110 | 100mg | Out of stock | Inquiry | |
| Batchno.20260128 | 10mg | Out of stock | Inquiry | |
| Batchno.20260518 | 1mg | Out of stock | Inquiry | |
| Batchno.20250102 | 25mg | Out of stock | Inquiry | |
| Batchno.20260619 | 50mg | Out of stock | Inquiry | |
| Batchno.20250325 | 5mg | Out of stock | Inquiry |
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS345892-71-9
- Purity/Analytical Methods: >99.0%
345892-71-9 / 2,6-dichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
Basic Information
CAS
345892-71-9
Multi CAS
No
Molecular Formula
C17H16CL3F3N2O3S
Molecular Weight
491.700000
Exact Mass
489.989931
InChI
InChI=1S/C17H16Cl3F3N2O3S/c1-25(2)5-6-28-15-9-11(3-4-12(15)18)24-29(26,27)16-13(19)7-10(8-14(16)20)17(21,22)23/h3-4,7-9,24H,5-6H2,1-2H3
InChIKey
UIZHOFJFIOCYLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
107.77
TPSA
58.64
LogP / Solubility
WLOGP
5.41
MLOGP
4.79
XLogP3
5.2
Consensus LogP
5.13
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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