![CAS 436088-64-1 2-AMINO-8-PHENYL-7,9-DIOXA-1-THIA-3-AZA-SPIRO[4.5]DEC-2-EN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/436088-64-1.gif)
CAS RN: 436088-64-1
2-AMINO-8-PHENYL-7,9-DIOXA-1-THIA-3-AZA-SPIRO[4.5]DEC-2-EN-4-ONE
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.20250908 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS436088-64-1
- Purity/Analytical Methods: >99.0%
436088-64-1 / 2-amino-8-phenyl-7,9-dioxa-1-thia-3-azaspiro[4.5]dec-2-en-4-one
Basic Information
CAS
436088-64-1
Multi CAS
Yes
Molecular Formula
C12H12N2O3S
Molecular Weight
264.300000
Exact Mass
264.056863
InChI
InChI=1S/C12H12N2O3S/c13-11-14-10(15)12(18-11)6-16-9(17-7-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,15)
InChIKey
CPAJIRANTJPFEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.04
TPSA
73.91
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
0.7
Consensus LogP
0.9
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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