CAS RN: 35771-65-4
5-(2-FURYL)-2 4-DIHYDRO-1 2 4-TRIAZOLE-&
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS35771-65-4
- Purity/Analytical Methods: >99.0%
35771-65-4 / 5-(furan-2-yl)-1,2-dihydro-1,2,4-triazole-3-thione
Basic Information
CAS
35771-65-4
Multi CAS
Yes
Molecular Formula
C6H5N3OS
Molecular Weight
167.190000
Exact Mass
167.015333
InChI
InChI=1S/C6H5N3OS/c11-6-7-5(8-9-6)4-2-1-3-10-4/h1-3H,(H2,7,8,9,11)
InChIKey
PQFBWTHPDGFZBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.47
TPSA
57.61
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
0.9
Consensus LogP
1.38
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 35775-46-3 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35775-46-3.gif)
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