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CAS 55206-22-9 5-hydroxy DMT (hydrochloride) molecular structure lightbox
CAS RN: 55206-22-9

5-hydroxy DMT (hydrochloride)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 1mg / 5mg Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS55206-22-9
  • Purity/Analytical Methods: >99.0%
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55206-22-9 / 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrochloride

Standard CAS: 55206-22-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55206-22-9
Multi CAS
No
Molecular Formula
C12H17CLN2O
Molecular Weight
240.730000
Exact Mass
240.102941
InChI
InChI=1S/C12H16N2O.ClH/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12;/h3-4,7-8,13,15H,5-6H2,1-2H3;1H
InChIKey
HFVAQLRXIRHGHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.47
TPSA
39.26

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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