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CAS 57460-41-0 Talinolol molecular structure lightbox
CAS RN: 57460-41-0

Talinolol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS57460-41-0
  • Purity/Analytical Methods: >99.0%
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57460-41-0 / 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea

Standard CAS: 57460-41-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57460-41-0
Multi CAS
Yes
Molecular Formula
C20H33N3O3
Molecular Weight
363.500000
Exact Mass
363.252192
InChI
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
InChIKey
MXFWWQICDIZSOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
104.73
TPSA
82.62

LogP / Solubility

WLOGP
3.27
MLOGP
2.9
XLogP3
2.6
Consensus LogP
2.92
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

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

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