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CAS 97627-24-2 N-(2-Chloro-6-methylphenyl)-N’-4-pyridinylurea molecular structure lightbox
CAS RN: 97627-24-2

N-(2-Chloro-6-methylphenyl)-N’-4-pyridinylurea

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS97627-24-2
  • Purity/Analytical Methods: >99.0%
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97627-24-2 / 1-(2-chloro-6-methylphenyl)-3-pyridin-4-ylurea

Standard CAS: 97627-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97627-24-2
Multi CAS
No
Molecular Formula
C13H12CLN3O
Molecular Weight
261.700000
Exact Mass
261.066890
InChI
InChI=1S/C13H12ClN3O/c1-9-3-2-4-11(14)12(9)17-13(18)16-10-5-7-15-8-6-10/h2-8H,1H3,(H2,15,16,17,18)
InChIKey
ZSBWDKCIIZYQIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.07
TPSA
54.02

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
1.5
Consensus LogP
2.81
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

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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