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CAS 93-45-8 N-(4-HYDROXYPHENYL)-2-NAPHTHYLAMINE, 97 molecular structure lightbox
CAS RN: 93-45-8

N-(4-HYDROXYPHENYL)-2-NAPHTHYLAMINE, 97

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS93-45-8
  • Purity/Analytical Methods: >99.0%
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93-45-8 / 4-(naphthalen-2-ylamino)phenol

Standard CAS: 93-45-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
93-45-8
Multi CAS
Yes
Molecular Formula
C16H13NO
Molecular Weight
235.280000
Exact Mass
235.099714
InChI
InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H
InChIKey
RACMGQBQYYWANW-UHFFFAOYSA-N

Physical Properties

Physical Description
4-(2-naphthylamino)phenol is a purple solid. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
75.34
TPSA
32.26

LogP / Solubility

WLOGP
4.29
MLOGP
3.78
XLogP3
4.2
Consensus LogP
4.09
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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