CAS RN: 7173-54-8
Tridodecyl methyl ammonium chloride
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-181307
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 | Shenzhen | Inquiry |
7173-54-8 / tridodecyl(methyl)azanium chloride
Basic Information
CAS
7173-54-8
Multi CAS
Yes
Molecular Formula
C37H78CLN
Molecular Weight
572.500000
Exact Mass
571.582279
InChI
InChI=1S/C37H78N.ClH/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;/h5-37H2,1-4H3;1H/q+1;/p-1
InChIKey
SBHRWOBHKASWGU-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
33
H-bond acceptors
1
Molar refractivity
176.32
TPSA
0.0000
LogP / Solubility
WLOGP
10.2
MLOGP
9.02
XLogP3
10.2
Consensus LogP
9.81
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-11.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.81
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)
1.03
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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