CAS RN: 73439-19-7
“COH-SR4(Mitochondria uncoupler SR4)”
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS73439-19-7
- Purity/Analytical Methods: >99.0%
73439-19-7 / 1,3-bis(3,5-dichlorophenyl)urea
Basic Information
CAS
73439-19-7
Multi CAS
No
Molecular Formula
C13H8CL4N2O
Molecular Weight
350.000000
Exact Mass
349.936124
InChI
InChI=1S/C13H8Cl4N2O/c14-7-1-8(15)4-11(3-7)18-13(20)19-12-5-9(16)2-10(17)6-12/h1-6H,(H2,18,19,20)
InChIKey
VKVJIWVUYNTBEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
85.57
TPSA
41.13
LogP / Solubility
WLOGP
5.94
MLOGP
5.25
XLogP3
5
Consensus LogP
5.4
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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