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CAS 775294-71-8 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol molecular structure lightbox
CAS RN: 775294-71-8

3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260317 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 10mg Out of stock Inquiry
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Batchno.20251107 5mg Out of stock Inquiry
  • Product code: starshine_CAS775294-71-8
  • Purity/Analytical Methods: >99.0%
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775294-71-8 / 3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol

Standard CAS: 775294-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
775294-71-8
Multi CAS
No
Molecular Formula
C21H21NO2
Molecular Weight
319.400000
Exact Mass
319.157229
InChI
InChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2
InChIKey
UECKKYNEEBRMIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
96.65
TPSA
52.49

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
2.8
Consensus LogP
3.37
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

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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