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CAS 886989-88-4 Piperlotine C molecular structure lightbox
CAS RN: 886989-88-4

Piperlotine C

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2 package records0 with current stock2 grade groups
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Batchno.20260601 5mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS886989-88-4
  • Purity/Analytical Methods: >99.0%
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886989-88-4 / 1-pyrrolidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Standard CAS: 886989-88-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886989-88-4
Multi CAS
Yes
Molecular Formula
C16H21NO4
Molecular Weight
291.340000
Exact Mass
291.147058
InChI
InChI=1S/C16H21NO4/c1-19-13-10-12(11-14(20-2)16(13)21-3)6-7-15(18)17-8-4-5-9-17/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
TYFKYDTUEMTUNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
80.95
TPSA
48

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
2.2
Consensus LogP
2.21
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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