CAS RN: 68555-36-2
Polyquaternium-2
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 100ml | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20260526 | 2.5L | In stock | Shanghai | Inquiry |
| Batchno.20250903 | 25ml | In stock | Shanghai, Hebei | Inquiry |
| Batchno.20260221 | 500ml | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20251215 | 5ml | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS68555-36-2
- Purity/Analytical Methods: >99.0%
68555-36-2 / 1,3-bis[3-(dimethylamino)propyl]urea;1-chloro-2-(2-chloroethoxy)ethane
Basic Information
CAS
68555-36-2
Multi CAS
No
Molecular Formula
C15H34CL2N4O2
Molecular Weight
373.400000
Exact Mass
372.205882
InChI
InChI=1S/C11H26N4O.C4H8Cl2O/c1-14(2)9-5-7-12-11(16)13-8-6-10-15(3)4;5-1-3-7-4-2-6/h5-10H2,1-4H3,(H2,12,13,16);1-4H2
InChIKey
VDKAGBGPQBZUIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100
TPSA
56.84
LogP / Solubility
WLOGP
1.67
MLOGP
1.49
XLogP3
1.67
Consensus LogP
1.61
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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