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CAS 501925-31-1 N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N’-(5-METHYL-3-ISOXAZOLYL)-UREA molecular structure lightbox
CAS RN: 501925-31-1

N-(5-CHLORO-2,4-DIMETHOXYPHENYL)-N’-(5-METHYL-3-ISOXAZOLYL)-UREA

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100mg Out of stock Inquiry
Batchno.20250618 250mg Out of stock Inquiry
Batchno.20260515 50mg In stock Shenzhen Inquiry
  • Product code: starshine_CAS501925-31-1
  • Purity/Analytical Methods: >99.0%
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501925-31-1 / 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

Standard CAS: 501925-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501925-31-1
Multi CAS
No
Molecular Formula
C13H14CLN3O4
Molecular Weight
311.720000
Exact Mass
311.067284
InChI
InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
InChIKey
CEIIEALEIHQDBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
78.44
TPSA
85.62

LogP / Solubility

WLOGP
3.3
MLOGP
2.92
XLogP3
2.2
Consensus LogP
2.81
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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