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CAS 145412-87-9 2-amino-1-(4-ethoxyphenyl)ethanol molecular structure lightbox
CAS RN: 145412-87-9

2-amino-1-(4-ethoxyphenyl)ethanol

  • Product code: SSC-056730
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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 145412-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

145412-87-9 / 2-amino-1-(4-ethoxyphenyl)ethanol

Standard CAS: 145412-87-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145412-87-9
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
CCOC1=CC=C(C=C1)C(CN)O
InChI
InChI=1S/C10H15NO2/c1-2-13-9-5-3-8(4-6-9)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3
InChIKey
CHDLMWOYJNKNBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.63
TPSA
55.48

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
0.5
Consensus LogP
0.84
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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