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CAS 5588-10-3 Methoxyphenamine hydrochloride molecular structure lightbox
CAS RN: 5588-10-3

Methoxyphenamine hydrochloride

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Batchno.20250612 1ml In stock Inquiry
  • Product code: starshine_CAS5588-10-3
  • Purity/Analytical Methods: >99.0%
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5588-10-3 / 1-(2-methoxyphenyl)-N-methylpropan-1-amine;hydrochloride

Standard CAS: 5588-10-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5588-10-3
Multi CAS
Yes
Molecular Formula
C11H18CLNO
Molecular Weight
215.720000
Exact Mass
215.107692
InChI
InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-6-4-5-7-11(10)13-3;/h4-7,9,12H,8H2,1-3H3;1H
InChIKey
FGSJNNQVSUVTPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.33
TPSA
21.26

LogP / Solubility

WLOGP
2.79
MLOGP
2.45
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

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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