CAS RN: 38402-02-7
Bis(2-hydroxyethyl)dimethylammonium Chloride
- Product code: SSC-146043
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: 0
- 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 | 0 | 0 Out of Stock | Shenzhen | Inquiry |
38402-02-7 / bis(2-hydroxyethyl)-dimethylazanium chloride
Basic Information
CAS
38402-02-7
Multi CAS
Yes
Molecular Formula
C6H16CLNO2
Molecular Weight
169.650000
Exact Mass
169.086956
InChI
InChI=1S/C6H16NO2.ClH/c1-7(2,3-5-8)4-6-9;/h8-9H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKey
OPVXPOIGBSHXNM-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.01
TPSA
40.46
LogP / Solubility
WLOGP
-3.95
MLOGP
-3.48
XLogP3
-3.95
Consensus LogP
-3.79
Log S (ESOL)
1.86
Class (ESOL)
Highly soluble
Log S (Ali)
1.9
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.03
Class (SILICOS-IT)
Highly 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)
-6.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
