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CAS 117961-20-3 3-(N-Morpholino)propanesulfonic acid hemisodium salt molecular structure lightbox
CAS RN: 117961-20-3

3-(N-Morpholino)propanesulfonic acid hemisodium salt

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shandong, Shanghai, Guangdong 5-7 business days Inquiry
  • Product code: SSC-017811
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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: 25g
  • Available purity: ≥97%
  • 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 117961-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

117961-20-3 / sodium;3-morpholin-4-ylpropane-1-sulfonate;3-morpholin-4-ylpropane-1-sulfonic acid

DTXSID80635733 | Sodium 3-(morpholin-4-yl)propane-1-sulfonate--3-(morpholin-4-yl)propane-1-sulfonic acid (1/1/1) | RefChem:1098678

Standard CAS: 117961-20-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117961-20-3
Multi CAS
Yes
Molecular Formula
C14H29N2NaO8S2
Molecular Weight
440.500000
Exact Mass
440.126303
SMILES
C1COCCN1CCCS(=O)(=O)O.C1COCCN1CCCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/2C7H15NO4S.Na/c2*9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h2*1-7H2,(H,9,10,11);/q;;+1/p-1
InChIKey
OVCWZKQPQOVIDT-UHFFFAOYSA-M
Synonyms
DTXSID80635733 Sodium 3-(morpholin-4-yl)propane-1-sulfonate--3-(morpholin-4-yl)propane-1-sulfonic acid (1/1/1) RefChem:1098678 DTXCID90586484 MOPS hemisodium salt

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
1
Molar refractivity
94.73
TPSA
136.51

LogP / Solubility

WLOGP
-4.15
MLOGP
-3.62
XLogP3
-4.15
Consensus LogP
-3.97
Log S (ESOL)
0.57
Class (ESOL)
Highly soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
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)
-8.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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