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CAS 32421-46-8 bunaftine molecular structure lightbox
CAS RN: 32421-46-8

bunaftine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS32421-46-8
  • Purity/Analytical Methods: >99.0%
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32421-46-8 / N-butyl-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide

Standard CAS: 32421-46-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32421-46-8
Multi CAS
No
Molecular Formula
C21H30N2O
Molecular Weight
326.500000
Exact Mass
326.235814
InChI
InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3
InChIKey
WWGZXRYELYWJBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.48
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
102.55
TPSA
23.55

LogP / Solubility

WLOGP
4.42
MLOGP
3.91
XLogP3
4.7
Consensus LogP
4.34
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble

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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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