CAS RN: 101828-21-1
Butenafine
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250420 | 1ml | In stock | Inquiry |
- Product code: LINB928106
101828-21-1 / 1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
butenafine | Butenafina | Butenafinum
Basic Information
CAS
101828-21-1
Multi CAS
Yes
Molecular Formula
C23H27N
Molecular Weight
317.500000
Exact Mass
317.214350
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3
InChIKey
ABJKWBDEJIDSJZ-UHFFFAOYSA-N
Synonyms
butenafine
Butenafina
Butenafinum
N-(p-tert-Butylbenzyl)-N-methyl-1-naphthalenemethylamine
DTXSID7040657
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
104.26
TPSA
3.24
LogP / Solubility
WLOGP
5.77
MLOGP
5.09
XLogP3
6.3
Consensus LogP
5.72
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
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
No
Log Kp (skin permeation)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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