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CAS 150-59-4 Alverine molecular structure lightbox
CAS RN: 150-59-4

Alverine

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Batchno.20250416 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS150-59-4
  • Purity/Analytical Methods: >99.0%
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150-59-4 / N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine

Standard CAS: 150-59-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
150-59-4
Multi CAS
No
Molecular Formula
C20H27N
Molecular Weight
281.400000
Exact Mass
281.214350
SMILES
CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2
InChI
InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKey
ZPFXAOWNKLFJDN-UHFFFAOYSA-N

Physical Properties

Melting Point
< 25 °C
Boiling Point
165-168 °C @ 0.3 MM HG
Physical Description
Solid
Appearance
LIQUID
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
91.64
TPSA
3.24

LogP / Solubility

WLOGP
4.57
MLOGP
4.03
XLogP3
5.3
Consensus LogP
4.63
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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