CAS RN: 1340593-70-5
Quilseconazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250401 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1340593-70-5
- Purity/Analytical Methods: >99.0%
1340593-70-5 / (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol
Basic Information
CAS
1340593-70-5
Multi CAS
No
Molecular Formula
C22H14F7N5O2
Molecular Weight
513.400000
Exact Mass
513.103572
SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)C([C@](CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OC(F)(F)F
InChI
InChI=1S/C22H14F7N5O2/c23-15-4-7-17(18(24)9-15)20(35,11-34-12-31-32-33-34)21(25,26)19-8-3-14(10-30-19)13-1-5-16(6-2-13)36-22(27,28)29/h1-10,12,35H,11H2/t20-/m0/s1
InChIKey
NCEHACHJIXJSPD-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
23
Fraction Csp3
0.18
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
108.32
TPSA
85.95
LogP / Solubility
WLOGP
4.59
MLOGP
4.08
XLogP3
4.3
Consensus LogP
4.32
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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