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CAS 88308-22-9 Propafenone Related Compound B ((2E)-1-[2-[(2RS)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one) molecular structure lightbox
CAS RN: 88308-22-9

Propafenone Related Compound B ((2E)-1-[2-[(2RS)-2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88308-22-9
  • Purity/Analytical Methods: >99.0%
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88308-22-9 / (E)-1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylprop-2-en-1-one

Standard CAS: 88308-22-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88308-22-9
Multi CAS
Yes
Molecular Formula
C21H25NO3
Molecular Weight
339.400000
Exact Mass
339.183444
InChI
InChI=1S/C21H25NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-13,18,22-23H,2,14-16H2,1H3/b13-12+
InChIKey
STGHQQSGJSJCGH-OUKQBFOZSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.91
TPSA
58.56

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
3.5
Consensus LogP
3.25
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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