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CAS 131326-24-4 1-Propanol, 3-[2-(phenylmethoxy)ethoxy]- molecular structure lightbox
CAS RN: 131326-24-4

1-Propanol, 3-[2-(phenylmethoxy)ethoxy]-

  • Product code: SSC-038121
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131326-24-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

131326-24-4 / 3-(2-phenylmethoxyethoxy)propan-1-ol

Standard CAS: 131326-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131326-24-4
Multi CAS
No
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
SMILES
C1=CC=C(C=C1)COCCOCCCO
InChI
InChI=1S/C12H18O3/c13-7-4-8-14-9-10-15-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKey
ZDJPMWXVMPGCOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.62
TPSA
38.69

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.1
Consensus LogP
1.37
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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