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CAS 321745-04-4 6-(4-Methylpiperazin-1-yl)-1H-indole molecular structure lightbox
CAS RN: 321745-04-4

6-(4-Methylpiperazin-1-yl)-1H-indole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS321745-04-4
  • Purity/Analytical Methods: >99.0%
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321745-04-4 / 6-(4-methylpiperazin-1-yl)-1H-indole

Standard CAS: 321745-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321745-04-4
Multi CAS
No
Molecular Formula
C13H17N3
Molecular Weight
215.290000
Exact Mass
215.142248
InChI
InChI=1S/C13H17N3/c1-15-6-8-16(9-7-15)12-3-2-11-4-5-14-13(11)10-12/h2-5,10,14H,6-9H2,1H3
InChIKey
WPHNRWNLNOQNQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.01
TPSA
22.27

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.6
Consensus LogP
2.07
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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