CAS RN: 82611-88-9
N-Ethyl-N-(3-sulfopropyl)-3-methoxyaniline sodium salt
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260319 | 100mg | In stock | Shenzhen, Tianjin | Inquiry | |
| Batchno.20250402 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20260412 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260330 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260107 | 25g | In stock | Tianjin, Chengdu | Inquiry | |
| Batchno.20250923 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS82611-88-9
- Purity/Analytical Methods: >99.0%
82611-88-9 / sodium 3-(N-ethyl-3-methoxyanilino)propane-1-sulfonate
Basic Information
CAS
82611-88-9
Multi CAS
Yes
Molecular Formula
C12H18NNAO4S
Molecular Weight
295.330000
Exact Mass
295.085424
InChI
InChI=1S/C12H19NO4S.Na/c1-3-13(8-5-9-18(14,15)16)11-6-4-7-12(10-11)17-2;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKey
MWFOPMKUGZLPQA-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
70.06
TPSA
69.67
LogP / Solubility
WLOGP
-1.54
MLOGP
-1.34
XLogP3
-1.54
Consensus LogP
-1.47
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.61
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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