![CAS 93300-54-0 5-(4-CHLORO-PHENYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/93300-54-0.gif)
CAS RN: 93300-54-0
5-(4-CHLORO-PHENYL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
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.20251225 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS93300-54-0
- Purity/Analytical Methods: >99.0%
93300-54-0 / 3-(4-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Basic Information
CAS
93300-54-0
Multi CAS
Yes
Molecular Formula
C14H10CLN3S
Molecular Weight
287.800000
Exact Mass
287.028396
InChI
InChI=1S/C14H10ClN3S/c15-11-8-6-10(7-9-11)13-16-17-14(19)18(13)12-4-2-1-3-5-12/h1-9H,(H,17,19)
InChIKey
AJOJIGWGJWZBOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
79.19
TPSA
33.61
LogP / Solubility
WLOGP
4.25
MLOGP
3.75
XLogP3
3.8
Consensus LogP
3.93
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 93335-92-3
- Product Code: starshine_CAS93335-92-3
- Purity/Analytical method: >99.0%
