CAS RN: 68797-31-9
Econazole nitrate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260214 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS68797-31-9
- Purity/Analytical Methods: >99.0%
68797-31-9 / 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
Basic Information
CAS
68797-31-9
Multi CAS
Yes
Molecular Formula
C18H16CL3N3O4
Molecular Weight
444.700000
Exact Mass
443.020639
InChI
InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)
InChIKey
DDXORDQKGIZAME-UHFFFAOYSA-N
Physical Properties
Melting Point
324 °F (NTP, 1992)
Physical Description
Econazole nitrate is a white crystalline powder. (NTP, 1992)
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
106.45
TPSA
90.42
LogP / Solubility
WLOGP
5.45
MLOGP
4.83
XLogP3
5.45
Consensus LogP
5.24
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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