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CAS 13256-79-6 1-BENZYL-3-(1-NAPHTHYL)UREA molecular structure lightbox
CAS RN: 13256-79-6

1-BENZYL-3-(1-NAPHTHYL)UREA

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Batchno.20250418 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13256-79-6
  • Purity/Analytical Methods: >99.0%
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13256-79-6 / 1-benzyl-3-naphthalen-1-ylurea

Standard CAS: 13256-79-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13256-79-6
Multi CAS
No
Molecular Formula
C18H16N2O
Molecular Weight
276.300000
Exact Mass
276.126263
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O/c21-18(19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2,(H2,19,20,21)
InChIKey
FWIZGBBRZIIRBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
86.25
TPSA
41.13

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
3
Consensus LogP
3.61
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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