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CAS 75345-27-6 POLYQUATERNIUM-1 molecular structure lightbox
CAS RN: 75345-27-6

POLYQUATERNIUM-1

  • Product code: SSC-184811
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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: 0.25g
  • Available purity: 95%+
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 75345-27-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g 95%+ 0 Out of Stock Shenzhen Inquiry

75345-27-6 / dimethyl-bis[(E)-4-[tris(2-hydroxyethyl)azaniumyl]but-2-enyl]azanium trichloride

Standard CAS: 75345-27-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75345-27-6
Multi CAS
Yes
Molecular Formula
C22H48CL3N3O6
Molecular Weight
557.000000
Exact Mass
555.260869
InChI
InChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;;
InChIKey
OTIWYSKRSMXGNK-VHJGTCNUSA-K

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.82
Rotatable bonds
20
H-bond acceptors
6
H-bond donors
6
Molar refractivity
122.09
TPSA
121.38

LogP / Solubility

WLOGP
-11.23
MLOGP
-9.84
XLogP3
-11.23
Consensus LogP
-10.77
Log S (ESOL)
5.1
Class (ESOL)
Highly soluble
Log S (Ali)
3.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.64
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-14.09

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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