![CAS 39263-81-5 2-PHENYL-1,2,4-TRIAZASPIRO[4.5]DEC-3-ENE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39263-81-5.gif)
CAS RN: 39263-81-5
2-PHENYL-1,2,4-TRIAZASPIRO[4.5]DEC-3-ENE-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.20250511 | 1g / 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS39263-81-5
- Purity/Analytical Methods: >99.0%
39263-81-5 / 2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
Basic Information
CAS
39263-81-5
Multi CAS
Yes
Molecular Formula
C13H17N3S
Molecular Weight
247.360000
Exact Mass
247.114319
InChI
InChI=1S/C13H17N3S/c17-12-14-13(9-5-2-6-10-13)15-16(12)11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,14,17)
InChIKey
MUADWFSXXPVRAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.61
TPSA
27.3
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
3
Consensus LogP
2.6
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.42
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
2.5
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- Product Code: starshine_CAS39268-74-1
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