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CAS 82692-96-4 Sodium 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonate [for Biochemical Research] molecular structure lightbox
CAS RN: 82692-96-4

Sodium 3-(N-Ethyl-3-methoxyanilino)-2-hydroxy-1-propanesulfonate [for Biochemical Research]

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251112 100mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260412 10g Out of stock Inquiry
Batchno.20250908 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250401 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260310 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260512 100mg / 1g / 5g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-190741
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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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 82692-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

82692-96-4 / sodium 3-(N-ethyl-3-methoxyanilino)-2-hydroxypropane-1-sulfonate

Standard CAS: 82692-96-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82692-96-4
Multi CAS
Yes
Molecular Formula
C12H18NNAO5S
Molecular Weight
311.330000
Exact Mass
311.080338
InChI
InChI=1S/C12H19NO5S.Na/c1-3-13(8-11(14)9-19(15,16)17)10-5-4-6-12(7-10)18-2;/h4-7,11,14H,3,8-9H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKey
CJUDSKIRZCSXJA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
71.45
TPSA
89.9

LogP / Solubility

WLOGP
-2.57
MLOGP
-2.25
XLogP3
-2.57
Consensus LogP
-2.46
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
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)
-6.44

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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