CAS RN: 64211-46-7
Oxiconazole nitrate
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS64211-46-7
- Purity/Analytical Methods: >99.0%
64211-46-7 / (Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
Basic Information
CAS
64211-46-7
Multi CAS
Yes
Molecular Formula
C18H13CL4N3O
Molecular Weight
429.100000
Exact Mass
428.978323
InChI
InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;
InChIKey
WVNOAGNOIPTWPT-NDUABGMUSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
106.48
TPSA
39.41
LogP / Solubility
WLOGP
6.12
MLOGP
5.41
XLogP3
6.1
Consensus LogP
5.88
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-7.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.25
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)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 64215-95-8
- Product Code: starshine_CAS64215-95-8
- Purity/Analytical method: >99.0%
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