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CAS 64544-71-4 1-ethyl-1,3-diphenylurea molecular structure lightbox
CAS RN: 64544-71-4

1-ethyl-1,3-diphenylurea

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS64544-71-4
  • Purity/Analytical Methods: >99.0%
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64544-71-4 / 1-ethyl-1,3-diphenylurea

Standard CAS: 64544-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64544-71-4
Multi CAS
Yes
Molecular Formula
C15H16N2O
Molecular Weight
240.300000
Exact Mass
240.126263
InChI
InChI=1S/C15H16N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,16,18)
InChIKey
NCPIMZDJJZLMCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
74.92
TPSA
32.34

LogP / Solubility

WLOGP
3.75
MLOGP
3.3
XLogP3
2.1
Consensus LogP
3.05
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-1.53

Drug-likeness / Medicinal Chemistry

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

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