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CAS 23592-67-8 PHENYL-(2,4,6-TRIMETHYL-PHENYL)-AMINE molecular structure lightbox
CAS RN: 23592-67-8

PHENYL-(2,4,6-TRIMETHYL-PHENYL)-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS23592-67-8
  • Purity/Analytical Methods: >99.0%
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23592-67-8 / 2,4,6-trimethyl-N-phenylaniline

Standard CAS: 23592-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23592-67-8
Multi CAS
No
Molecular Formula
C15H17N
Molecular Weight
211.300000
Exact Mass
211.136100
SMILES
CC1=CC(=C(C(=C1)C)NC2=CC=CC=C2)C
InChI
InChI=1S/C15H17N/c1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14/h4-10,16H,1-3H3
InChIKey
GBBQZSGRWMPLLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.38
TPSA
12.03

LogP / Solubility

WLOGP
4.36
MLOGP
3.83
XLogP3
4.6
Consensus LogP
4.26
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-0.92

Drug-likeness / Medicinal Chemistry

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

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