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CAS 202991-77-3 OTAVA-BB 1194537 molecular structure lightbox
CAS RN: 202991-77-3

OTAVA-BB 1194537

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS202991-77-3
  • Purity/Analytical Methods: >99.0%
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202991-77-3 / 1-ethyl-4-piperidin-4-ylpiperazine

Standard CAS: 202991-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202991-77-3
Multi CAS
No
Molecular Formula
C11H23N3
Molecular Weight
197.320000
Exact Mass
197.189198
SMILES
CCN1CCN(CC1)C2CCNCC2
InChI
InChI=1S/C11H23N3/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11/h11-12H,2-10H2,1H3
InChIKey
JOXMSOKQNJLNEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.58
TPSA
18.51

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
0.6
Consensus LogP
0.44
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-3.66

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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