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CAS 2136-71-2 2-Hexadecyloxyethanol molecular structure lightbox
CAS RN: 2136-71-2

2-Hexadecyloxyethanol

  • Product code: SSC-102000
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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: ≥97%
  • 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 2136-71-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

2136-71-2 / 2-hexadecoxyethanol

Standard CAS: 2136-71-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2136-71-2
Multi CAS
No
Molecular Formula
C18H38O2
Molecular Weight
286.500000
Exact Mass
286.287180
SMILES
CCCCCCCCCCCCCCCCOCCO
InChI
InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3
InChIKey
FSAMVJAGJWGWTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
88.22
TPSA
29.46

LogP / Solubility

WLOGP
5.48
MLOGP
4.83
XLogP3
7.3
Consensus LogP
5.87
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.58

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
1.5

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