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CAS 96326-74-8 1,2-DIPALMITOYL-3-DIMETHYLAMMONIUM-PROPANE molecular structure lightbox
CAS RN: 96326-74-8

1,2-DIPALMITOYL-3-DIMETHYLAMMONIUM-PROPANE

  • Product code: SSC-211965
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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 96326-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

96326-74-8 / [3-(dimethylamino)-2-hexadecanoyloxypropyl] hexadecanoate

Standard CAS: 96326-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96326-74-8
Multi CAS
No
Molecular Formula
C37H73NO4
Molecular Weight
596.000000
Exact Mass
595.553960
InChI
InChI=1S/C37H73NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34-35(33-38(3)4)42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h35H,5-34H2,1-4H3
InChIKey
ALRIWCIIGVAXHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.95
Rotatable bonds
33
H-bond acceptors
5
Molar refractivity
180.02
TPSA
55.84

LogP / Solubility

WLOGP
10.97
MLOGP
9.7
XLogP3
14.8
Consensus LogP
11.82
Log S (ESOL)
-8.27
Class (ESOL)
Insoluble
Log S (Ali)
-12.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.6
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.43

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
4.5

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