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CAS 61-16-5 METHOXAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 61-16-5

METHOXAMINE HYDROCHLORIDE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260418 100mg In stock Inquiry
Batchno.20260320 1g Out of stock Inquiry
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Batchno.20250907 5g In stock Inquiry
  • Product code: starshine_CAS61-16-5
  • Purity/Analytical Methods: >99.0%
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61-16-5 / 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride

Standard CAS: 61-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61-16-5
Multi CAS
Yes
Molecular Formula
C11H18CLNO3
Molecular Weight
247.720000
Exact Mass
247.097521
InChI
InChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H
InChIKey
YGRFXPCHZBRUKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.4
TPSA
64.71

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.51
Consensus LogP
1.45
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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