![CAS 82611-85-6 Sodium 3-(N-Ethylanilino)propanesulfonate [for Biochemical Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/s0817-jpgcontextbwfzdgvyfhjvb3r8mjk5mdh8aw1hz2uvanblz3xomtuvagu3lzg5mziyntc0otcxmtgvuza4mtcuanbnfdk2mjm3owm5mgjjyjg4zwm0y2q2mjvmzgq0nzblzmrkzduznju5n2nmowm3ytdiodnlnje0yjuyndjmmtjkngy.jpeg)
CAS RN: 82611-85-6
Sodium 3-(N-Ethylanilino)propanesulfonate [for Biochemical Research]
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 10g | Out of stock | Inquiry | |
| Batchno.20250731 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260426 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260414 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-190699
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥99%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥99% | 0 Out of Stock | Shanghai | Inquiry |
82611-85-6 / sodium 3-(N-ethylanilino)propane-1-sulfonate
Basic Information
CAS
82611-85-6
Multi CAS
Yes
Molecular Formula
C11H16NNAO3S
Molecular Weight
265.310000
Exact Mass
265.074859
InChI
InChI=1S/C11H17NO3S.Na/c1-2-12(9-6-10-16(13,14)15)11-7-4-3-5-8-11;/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKey
FFJBIXKLISICDT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
63.51
TPSA
60.44
LogP / Solubility
WLOGP
-1.55
MLOGP
-1.35
XLogP3
-1.55
Consensus LogP
-1.48
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very 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)
-5.44
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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