CAS RN: 1093065-11-2
1-((3-Bromo-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine
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.20250620 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1093065-11-2
- Purity/Analytical Methods: >99.0%
1093065-11-2 / 1-(3-bromo-4-ethoxyphenyl)sulfonyl-4-methylpiperazine
1-((3-Bromo-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine | MFCD27923092 | C13H19BrN2O3S
Basic Information
CAS
1093065-11-2
Multi CAS
No
Molecular Formula
C13H19BrN2O3S
Molecular Weight
363.270000
Exact Mass
362.029980
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)Br
InChI
InChI=1S/C13H19BrN2O3S/c1-3-19-13-5-4-11(10-12(13)14)20(17,18)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKey
GGBSHXKOKQKKGX-UHFFFAOYSA-N
Synonyms
1-((3-Bromo-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine
MFCD27923092
C13H19BrN2O3S
1-(3-bromo-4-ethoxyphenyl)sulfonyl-4-methylpiperazine
1-(3-bromo-4-ethoxybenzenesulfonyl)-4-methylpiperazine
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
81.57
TPSA
49.85
LogP / Solubility
WLOGP
1.78
MLOGP
1.59
XLogP3
1.9
Consensus LogP
1.76
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly 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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-(3,3-difluoroazetidin-1-yl)piperidine hydrochloride
- CAS RN: 1093066-73-9
- Product Code: SSC-010562
-
tert-Butyl 4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylate
- CAS RN: 1093066-74-0
- Product Code: starshine_CAS1093066-74-0
- Purity/Analytical method: >99.0%
-
tert-Butyl 4-(azetidin-1-yl)piperidine-1-carboxylate
- CAS RN: 1093066-82-0
- Product Code: SSC-010563
-
2-Methyl-N-(1R-naphthalen-2-yl-ethyl)-benzamide
- CAS RN: 1093070-10-0
- Product Code: starshine_CAS1093070-10-0
- Purity/Analytical method: >99.0%
-
PLpro inhibitor
- CAS RN: 1093070-14-4
- Product Code: starshine_CAS1093070-14-4
- Purity/Analytical method: >99.0%
-
5-Amino-2-methyl-N-(1R-naphthalen-1-yl-ethyl)benzamide
- CAS RN: 1093070-16-6
- Product Code: starshine_CAS1093070-16-6
- Purity/Analytical method: >99.0%
