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CAS 38649-72-8 N-Cyclohexyl-N’-[4-(2,3-epoxypropoxy)phenyl]urea molecular structure lightbox
CAS RN: 38649-72-8

N-Cyclohexyl-N’-[4-(2,3-epoxypropoxy)phenyl]urea

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS38649-72-8
  • Purity/Analytical Methods: >99.0%
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38649-72-8 / 1-cyclohexyl-3-[4-(oxiran-2-ylmethoxy)phenyl]urea

Standard CAS: 38649-72-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38649-72-8
Multi CAS
Yes
Molecular Formula
C16H22N2O3
Molecular Weight
290.360000
Exact Mass
290.163043
InChI
InChI=1S/C16H22N2O3/c19-16(17-12-4-2-1-3-5-12)18-13-6-8-14(9-7-13)20-10-15-11-21-15/h6-9,12,15H,1-5,10-11H2,(H2,17,18,19)
InChIKey
OWUOHIMJYZRAGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.7
TPSA
62.89

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.4
Consensus LogP
2.63
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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