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CAS 5274-63-5 C16E4 molecular structure lightbox
CAS RN: 5274-63-5

C16E4

  • Product code: SSC-159859
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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 5274-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5274-63-5 / 2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethanol

Standard CAS: 5274-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5274-63-5
Multi CAS
No
Molecular Formula
C24H50O5
Molecular Weight
418.700000
Exact Mass
418.365825
InChI
InChI=1S/C24H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21-28-23-24-29-22-20-27-18-16-25/h25H,2-24H2,1H3
InChIKey
CACXEVGZNASLOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
26
H-bond acceptors
5
H-bond donors
1
Molar refractivity
120.67
TPSA
57.15

LogP / Solubility

WLOGP
5.53
MLOGP
4.89
XLogP3
6.8
Consensus LogP
5.74
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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