CAS RN: 514222-44-7
FLUCONAZOLE IMPURITY C
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250112 | 20mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS514222-44-7
- Purity/Analytical Methods: >99.0%
514222-44-7 / 1-[3-(1,2,4-triazol-1-yl)phenyl]-1,2,4-triazole
Basic Information
CAS
514222-44-7
Multi CAS
Yes
Molecular Formula
C10H8N6
Molecular Weight
212.210000
Exact Mass
212.081044
InChI
InChI=1S/C10H8N6/c1-2-9(15-7-11-5-13-15)4-10(3-1)16-8-12-6-14-16/h1-8H
InChIKey
WXNXRKYXCCDJHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
56.28
TPSA
61.42
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
1.4
Consensus LogP
1
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
