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CAS 91252-41-4 2-HYDROXY-2-(3,5-DIMETHOXYPHENYL)ETHYLAMINE molecular structure lightbox
CAS RN: 91252-41-4

2-HYDROXY-2-(3,5-DIMETHOXYPHENYL)ETHYLAMINE

  • Product code: SSC-204165
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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 91252-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

91252-41-4 / 2-amino-1-(3,5-dimethoxyphenyl)ethanol

Standard CAS: 91252-41-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91252-41-4
Multi CAS
Yes
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
InChI
InChI=1S/C10H15NO3/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2/h3-5,10,12H,6,11H2,1-2H3
InChIKey
UOBUBYADHSKKDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.56
TPSA
64.71

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.1
Consensus LogP
0.47
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-3.43

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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