CAS RN: 273384-77-3

N-[1-(2-Naphthalenyl)ethyl]formamide

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Batchno.20250826 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS273384-77-3
  • Purity/Analytical Methods: >99.0%
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273384-77-3 / N-(1-naphthalen-2-ylethyl)formamide

Standard CAS: 273384-77-3 Multi CAS: No

Basic Information

CAS
273384-77-3
Multi CAS
No
Molecular Formula
C13H13NO
Molecular Weight
199.250000
Exact Mass
199.099714
InChI
InChI=1S/C13H13NO/c1-10(14-9-15)12-7-6-11-4-2-3-5-13(11)8-12/h2-10H,1H3,(H,14,15)
InChIKey
UAKUACVJZBWEFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.56
TPSA
29.1

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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