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CAS 41340-31-2 6-Methoxytrytophol, 97%(HPLC) molecular structure lightbox
CAS RN: 41340-31-2

6-Methoxytrytophol, 97%(HPLC)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINM926671
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41340-31-2 / 2-(6-methoxy-1H-indol-3-yl)ethanol

Standard CAS: 41340-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
41340-31-2
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
InChI
InChI=1S/C11H13NO2/c1-14-9-2-3-10-8(4-5-13)7-12-11(10)6-9/h2-3,6-7,12-13H,4-5H2,1H3
InChIKey
FGLYVOXCGGYIJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.64
TPSA
45.25

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
2
Consensus LogP
1.74
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

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

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