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CAS 2411591-47-2 (2R)-2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHAN-1-OL HCl molecular structure lightbox
CAS RN: 2411591-47-2

(2R)-2-AMINO-2-(3,4-DIMETHOXYPHENYL)ETHAN-1-OL HCl

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 100mg Out of stock Inquiry
Batchno.20250410 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250123 1g Out of stock Inquiry
Batchno.20260214 250mg Out of stock Inquiry
  • Product code: starshine_CAS2411591-47-2
  • Purity/Analytical Methods: >99.0%
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2411591-47-2 / 2-amino-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride

Standard CAS: 2411591-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2411591-47-2
Multi CAS
No
Molecular Formula
C10H16ClNO3
Molecular Weight
233.690000
Exact Mass
233.081871
SMILES
COC1=C(C=C(C=C1)C(CO)N)OC.Cl
InChI
InChI=1S/C10H15NO3.ClH/c1-13-9-4-3-7(8(11)6-12)5-10(9)14-2;/h3-5,8,12H,6,11H2,1-2H3;1H/t8-;/m0./s1
InChIKey
NCRZWUIMVNDOMZ-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.81
TPSA
64.71

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.35

Drug-likeness / Medicinal Chemistry

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

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