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CAS 13177-41-8 Octadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt molecular structure lightbox
CAS RN: 13177-41-8

Octadecyldimethyl(3-sulfopropyl)ammonium Hydroxide Inner Salt

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250408 1g / 2g / 10g / 50g / 100g / 250g Confirm by inquiry Shanghai, Shandong, Hebei 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250413 100g Out of stock Inquiry
Batchno.20260306 25g Out of stock Inquiry
  • Product code: SSC-038893
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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: 100g
  • 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 13177-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

13177-41-8 / 3-[dimethyl(octadecyl)azaniumyl]propane-1-sulfonate

Standard CAS: 13177-41-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13177-41-8
Multi CAS
No
Molecular Formula
C23H49NO3S
Molecular Weight
419.700000
Exact Mass
419.343316
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI
InChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3
InChIKey
DIROHOMJLWMERM-UHFFFAOYSA-N

Physical Properties

Physical Description
Beige hygroscopic powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
3
Molar refractivity
120.57
TPSA
57.2

LogP / Solubility

WLOGP
6.26
MLOGP
5.53
XLogP3
8.3
Consensus LogP
6.7
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.84

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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