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CAS 78-41-1 TRIPARANOL molecular structure lightbox
CAS RN: 78-41-1

TRIPARANOL

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7 package records7 with current stock1 grade group
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Batchno.20251215 100mg In stock Shanghai Inquiry
Batchno.20250408 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS78-41-1
  • Purity/Analytical Methods: >99.0%
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78-41-1 / 2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol

Standard CAS: 78-41-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78-41-1
Multi CAS
Yes
Molecular Formula
C27H32CLNO2
Molecular Weight
438.000000
Exact Mass
437.212157
InChI
InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3
InChIKey
SYHDSBBKRLVLFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
129.06
TPSA
32.7

LogP / Solubility

WLOGP
5.85
MLOGP
5.17
XLogP3
6.2
Consensus LogP
5.74
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24

Drug-likeness / Medicinal Chemistry

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

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