![CAS 82692-88-4 N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline Sodium Salt [for Biochemical Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/s0827-jpgcontextbwfzdgvyfhjvb3r8mzm4odf8aw1hz2uvanblz3xoyjmvagy3lzg5mziyntc5ntu4nzavuza4mjcuanbnfde2mzm1ogy5owi2ywy2m2qymtmxyjbmzgixzdu1owe3mzg4mtiznwiynme1ytvkyjrjmzg4ywu1zgmxnge5nti.jpeg)
CAS RN: 82692-88-4
N-(2-Hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline Sodium Salt [for Biochemical Research]
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 200mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTS0827
- Purity/Analytical Methods: >98.0%(HPLC)
82692-88-4 / sodium 3-(3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonate
Basic Information
CAS
82692-88-4
Multi CAS
Yes
Molecular Formula
C11H16NNAO6S
Molecular Weight
313.300000
Exact Mass
313.059603
InChI
InChI=1S/C11H17NO6S.Na/c1-17-10-3-8(4-11(5-10)18-2)12-6-9(13)7-19(14,15)16;/h3-5,9,12-13H,6-7H2,1-2H3,(H,14,15,16);/q;+1/p-1
InChIKey
SVLRFMQGKVFRTB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
68.61
TPSA
107.92
LogP / Solubility
WLOGP
-2.97
MLOGP
-2.6
XLogP3
-2.97
Consensus LogP
-2.85
Log S (ESOL)
0.33
Class (ESOL)
Highly soluble
Log S (Ali)
0.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.07
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)
-6.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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