CAS RN: 117604-42-9
(R)-(+)-(3-CHLORO-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250527 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS117604-42-9
- Purity/Analytical Methods: >99.0%
117604-42-9 / [(2R)-3-chloro-2-hydroxypropyl]-trimethylazanium chloride
(3-Chloro-2-hydroxypropyl)trimethylammonium chloride | Dextrosil | 3-Chloro-2-hydroxypropylammonium chloride
Basic Information
CAS
117604-42-9
Multi CAS
Yes
Molecular Formula
C6H15Cl2NO
Molecular Weight
188.090000
Exact Mass
187.053070
SMILES
C[N+](C)(C)C[C@H](CCl)O.[Cl-]
InChI
InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1/t6-;/m0./s1
InChIKey
CSPHGSFZFWKVDL-RGMNGODLSA-M
Synonyms
(3-Chloro-2-hydroxypropyl)trimethylammonium chloride
Dextrosil
3-Chloro-2-hydroxypropylammonium chloride
1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride
APK4X6ZD79
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.63
TPSA
20.23
LogP / Solubility
WLOGP
-2.7
MLOGP
-2.38
XLogP3
-2.7
Consensus LogP
-2.59
Log S (ESOL)
0.9
Class (ESOL)
Highly soluble
Log S (Ali)
0.85
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1
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)
-5.79
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
2
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