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CAS 5205-95-8 3-[(3-Methacrylamidopropyl)dimethylammonio]propane-1-sulfonate molecular structure lightbox
CAS RN: 5205-95-8

3-[(3-Methacrylamidopropyl)dimethylammonio]propane-1-sulfonate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260113 100g In stock Inquiry
Batchno.20250615 1g In stock Inquiry
Batchno.20250206 25g In stock Inquiry
Batchno.20250206 5g In stock Inquiry
  • Product code: SSC-159115
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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 5205-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

5205-95-8 / 3-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate

Standard CAS: 5205-95-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5205-95-8
Multi CAS
Yes
Molecular Formula
C12H24N2O4S
Molecular Weight
292.400000
Exact Mass
292.145678
InChI
InChI=1S/C12H24N2O4S/c1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18/h1,5-10H2,2-4H3,(H-,13,15,16,17,18)
InChIKey
OIETYYKGJGVJFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.46
TPSA
86.3

LogP / Solubility

WLOGP
0.08
MLOGP
0.08
XLogP3
0.1
Consensus LogP
0.09
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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