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CAS 608142-27-4 (R)-1-(3-Ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethylaMine molecular structure lightbox
CAS RN: 608142-27-4

(R)-1-(3-Ethoxy-4-Methoxyphenyl)-2-(Methylsulfonyl)ethylaMine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS608142-27-4
  • Purity/Analytical Methods: >99.0%
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608142-27-4 / (1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine

Standard CAS: 608142-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
608142-27-4
Multi CAS
Yes
Molecular Formula
C12H19NO4S
Molecular Weight
273.350000
Exact Mass
273.103479
InChI
InChI=1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3/t10-/m0/s1
InChIKey
BXUJVINGXQGNFD-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.8
TPSA
78.62

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.88
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

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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