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CAS 5560-59-8 Alverine citrate molecular structure lightbox
CAS RN: 5560-59-8

Alverine citrate

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4 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250604 25g In stock Inquiry
Batchno.20250221 5g In stock Inquiry
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Batchno.20260511 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5560-59-8
  • Purity/Analytical Methods: >99.0%
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5560-59-8 / N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid

Standard CAS: 5560-59-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5560-59-8
Multi CAS
Yes
Molecular Formula
C26H35NO7
Molecular Weight
473.600000
Exact Mass
473.241352
InChI
InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
RYHCACJBKCOBTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
4
Molar refractivity
128.73
TPSA
135.37

LogP / Solubility

WLOGP
3.33
MLOGP
2.96
XLogP3
3.33
Consensus LogP
3.21
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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