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CAS 133562-41-1 2-AMINO-1-(3-PHENOXYPHENYL)ETHANOL HYDROCHLORIDE molecular structure lightbox
CAS RN: 133562-41-1

2-AMINO-1-(3-PHENOXYPHENYL)ETHANOL HYDROCHLORIDE

  • Product code: SSC-040426
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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: 0.25g
  • 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 133562-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shanghai Inquiry

133562-41-1 / 2-amino-1-(3-phenoxyphenyl)ethanol;hydrochloride

Standard CAS: 133562-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133562-41-1
Multi CAS
No
Molecular Formula
C14H16ClNO2
Molecular Weight
265.730000
Exact Mass
265.086956
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CN)O.Cl
InChI
InChI=1S/C14H15NO2.ClH/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12;/h1-9,14,16H,10,15H2;1H
InChIKey
GNVIJXRQOBJGHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.22
TPSA
55.48

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.89
Consensus LogP
2.78
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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