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CAS 154826-10-5 Acetic acid, [2-(4-octylphenoxy)ethoxy]- molecular structure lightbox
CAS RN: 154826-10-5

Acetic acid, [2-(4-octylphenoxy)ethoxy]-

  • Product code: SSC-064157
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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 154826-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

154826-10-5 / 2-[2-(4-octylphenoxy)ethoxy]acetic acid

Standard CAS: 154826-10-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
154826-10-5
Multi CAS
No
Molecular Formula
C18H28O4
Molecular Weight
308.400000
Exact Mass
308.198759
SMILES
CCCCCCCCC1=CC=C(C=C1)OCCOCC(=O)O
InChI
InChI=1S/C18H28O4/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)22-14-13-21-15-18(19)20/h9-12H,2-8,13-15H2,1H3,(H,19,20)
InChIKey
XZNGROLKAUBWMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.47
TPSA
55.76

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
5.4
Consensus LogP
4.35
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.6
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
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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