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CAS 211184-47-3 N,N’-(2-Hydroxy-1,3-propanediyl)-bis-[N-(2-hydroxyethyl)-hexadecanamide molecular structure lightbox
CAS RN: 211184-47-3

N,N’-(2-Hydroxy-1,3-propanediyl)-bis-[N-(2-hydroxyethyl)-hexadecanamide

  • Product code: SSC-100768
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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: 1g
  • 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 211184-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

211184-47-3 / N-[3-[hexadecanoyl(2-hydroxyethyl)amino]-2-hydroxypropyl]-N-(2-hydroxyethyl)hexadecanamide

Standard CAS: 211184-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211184-47-3
Multi CAS
No
Molecular Formula
C39H78N2O5
Molecular Weight
655.000000
Exact Mass
654.591074
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCO)CC(CN(CCO)C(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C39H78N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(45)40(31-33-42)35-37(44)36-41(32-34-43)39(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,42-44H,3-36H2,1-2H3
InChIKey
PDRAHDYJNDYBNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.95
Rotatable bonds
36
H-bond acceptors
5
H-bond donors
3
Molar refractivity
193.96
TPSA
101.31

LogP / Solubility

WLOGP
8.95
MLOGP
7.93
XLogP3
11.9
Consensus LogP
9.59
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-11.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.36

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

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