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CAS 2426-76-8 6-methoxy DiPT (hydrochloride) molecular structure lightbox
CAS RN: 2426-76-8

6-methoxy DiPT (hydrochloride)

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Batchno.20260321 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2426-76-8
  • Purity/Analytical Methods: >99.0%
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2426-76-8 / N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride

Standard CAS: 2426-76-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2426-76-8
Multi CAS
No
Molecular Formula
C17H27ClN2O
Molecular Weight
310.900000
Exact Mass
310.181191
SMILES
CC(C)N(CCC1=CNC2=C1C=CC(=C2)OC)C(C)C.Cl
InChI
InChI=1S/C17H26N2O.ClH/c1-12(2)19(13(3)4)9-8-14-11-18-17-10-15(20-5)6-7-16(14)17;/h6-7,10-13,18H,8-9H2,1-5H3;1H
InChIKey
DSTYQCAKEMLWCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
92.78
TPSA
28.26

LogP / Solubility

WLOGP
4.26
MLOGP
3.76
XLogP3
4.26
Consensus LogP
4.09
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.94
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

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