![CAS 15178-76-4 Dimethyl(n-octyl)(3-sulfopropyl)ammonium Hydroxide Inner Salt [for Biochemical Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4247-jpgcontextbwfzdgvyfhjvb3r8mjk0njn8aw1hz2uvanblz3xoytevadlmlzg5mzayoda0mdcwnzavrdqyndcuanbnfgmyytaxzjuyywe2ntm2ndzhndaxymy3zjm3oda5nwe1mtg0mtgzzjc5n2qxztfjzju1mtcyzjlizwfhnzfjmza.jpeg)
CAS RN: 15178-76-4
Dimethyl(n-octyl)(3-sulfopropyl)ammonium Hydroxide Inner Salt [for Biochemical Research]
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250417 | 1g / 5g / 25g / 100g / 250g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-061593
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
15178-76-4 / 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate
Basic Information
CAS
15178-76-4
Multi CAS
No
Molecular Formula
C13H29NO3S
Molecular Weight
279.440000
Exact Mass
279.186815
SMILES
CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI
InChI=1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
InChIKey
QZRAABPTWGFNIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
3
Molar refractivity
74.4
TPSA
57.2
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
2.9
Consensus LogP
2.45
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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